Geometry & MOs

Info

ID:	382439
PubChem CID:	134973585
Reduced:	OPN3C36H36 (1)
Stoich.:	ABC3D36E36 (1)
Weight, g/mol:	815.260782
ΔH_f, kcal/mol:	43.31
Dipole, Da:	2.18
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bis[4-[(2,3-dimethoxybenzoyl)amino]phenyl]phosphorylphenyl]-2,3-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)P(=O)(C3=CC=C(C=C3)N4C(=CC=C4C)C)C5=CC=C(C=C5)N6C(=CC=C6C)C)C

DOS

IR

Vibrations