Geometry & MOs

Info

ID:	437073
PubChem CID:	135214460
Reduced:	SF3O3N7H22C26 (1)
Stoich.:	AB3C3D7E22F26 (1)
Weight, g/mol:	507.175398
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	8.99
IP(EA), eV:	-8.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,5aS,12aR)-4,7-diamino-1,10,11,12a-tetrahydroxy-3,12-dioxo-5a-[(pyridin-3-ylamino)methyl]-4,4a,5,6-tetrahydrotetracene-2-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=CC2=C(NC(C(=O)N=C2S1)NC3=NN=C(O3)C4=C(C=C(C=N4)C(F)(F)F)N5CCOCC5)C6=CC=CC=C6

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=CC2=C(NC(C(=O)N=C2S1)NC3=NN=C(O3)C4=C(C=C(C=N4)C(F)(F)F)N5CCOCC5)C6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):