Geometry & MOs

Info

ID:	225882
PubChem CID:	87235924
Reduced:	NPO3C35H71 (1)
Stoich.:	ABC3D35E71 (1)
Weight, g/mol:	525.145534
ΔH_f, kcal/mol:	-234.97
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751720
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[6-chloro-2-oxo-7-(4-propan-2-ylphenyl)indol-3-yl]hydrazinyl]-2-hydroxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)POC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations