Geometry & MOs

Info

ID:	173476
PubChem CID:	75643000
Reduced:	SN4O5C16H16 (1)
Stoich.:	AB4C5D16E16 (1)
Weight, g/mol:	330.088353
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	2.93
IP(EA), eV:	-8.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[2-(pyridine-3-carbonyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])NNC(=O)C2=CC=CS2

DOS

IR

Vibrations