Geometry & MOs

Info

ID:	62538
PubChem CID:	26719847
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	396.07107
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	3.12
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC(=C(C=C2)C)Cl)C)C(=O)OC

DOS

IR

Vibrations