Geometry & MOs

Info

ID:	34968
PubChem CID:	7979146
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	356.11207
ΔH_f, kcal/mol:	-191.24
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations