Geometry & MOs

Info

ID:	62539
PubChem CID:	26719848
Reduced:	ClFSN2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	396.07107
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	6.29
IP(EA), eV:	-8.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations