Geometry & MOs

Info

ID:	34903
PubChem CID:	7979071
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	376.057447
ΔH_f, kcal/mol:	-156.17
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations