Geometry & MOs

Info

ID:	66066
PubChem CID:	46490953
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	5.32
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1H-indol-3-yl)acetyl]-4-[(4-methylphenyl)sulfonylmethyl]benzohydrazide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=CS1)CC(=O)NNC(=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations