Geometry & MOs

Info

ID:	38932
PubChem CID:	8138187
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	396.089226
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	1.78
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC(=O)NNC(=O)C2=CC=CN2)C

DOS

IR

Vibrations