Geometry & MOs

Info

ID:	222773
PubChem CID:	85332440
Reduced:	N6O7C25H28 (1)
Stoich.:	A6B7C25D28 (1)
Weight, g/mol:	524.295848
ΔH_f, kcal/mol:	-132.19
Dipole, Da:	7.06
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6,12-di(butan-2-yl)-9-(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetamide

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

CC(C)(C)OC(=O)N1CC(C(C1)NC(=O)C2=CC=C(C=C2)CN3C=NC4=C3C=C(C=C4)[N+](=O)[O-])C(=O)NO

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

CC(C)(C)OC(=O)N1CC(C(C1)NC(=O)C2=CC=C(C=C2)CN3C=NC4=C3C=C(C=C4)[N+](=O)[O-])C(=O)NO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):