Geometry & MOs

Info

ID:	169612
PubChem CID:	75126020
Reduced:	SN4O4C21H32 (1)
Stoich.:	AB4C4D21E32 (1)
Weight, g/mol:	330.07712
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	5.06
IP(EA), eV:	-9.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1CCC2C(C1)C(CC(=O)N2)C(=O)NC(C)C3=CC=CC=N3

DOS

IR

Vibrations