Geometry & MOs

Info

ID:	268059
PubChem CID:	103597605
Reduced:	ClFNSO2C7H7 (1)
Stoich.:	ABCDE2F7G7 (1)
Weight, g/mol:	351.098584
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	2.65
IP(EA), eV:	-10.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-nitrophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)S(=O)(=O)N)CCl

DOS

IR

Vibrations