Geometry & MOs

Info

ID:	137410
PubChem CID:	52204755
Reduced:	SO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	390.104956
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	8.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941617
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-acetylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]C(=N1)C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations