Geometry & MOs

Info

ID:	312882
PubChem CID:	126609446
Reduced:	NO2H5C7 (4)
Stoich.:	AB2C5D7 (4)
Weight, g/mol:	1025.369466
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	1.79
IP(EA), eV:	-8.96(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-N-ethyl-4-[4-[[4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]methyl]phenyl]-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C=C4C(=O)N(C(=O)O4)C5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C=C4C(=O)N(C(=O)O4)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):