Geometry & MOs

Info

ID:

12218

PubChem CID:

132608

Reduced:

O5N10C40H42 (1)

Stoich.:

A5B10C40D42 (1)

Weight, g/mol:

742.333964

ΔHf, kcal/mol:

-66.93

Dipole, Da:

4.12

IP(EA), eV:

 -7.81(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-formamido-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCNC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=CN6C)NC(=O)C7=CC(=CN7C)NC=O

DOS

IR

Vibrations