Geometry & MOs

Info

ID:	39036
PubChem CID:	8138408
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	351.98072
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	2.6
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromo-3-nitrobenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations