Geometry & MOs

Info

ID:	393616
PubChem CID:	135021224
Reduced:	SN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	452.120607
ΔH_f, kcal/mol:	30.39
Dipole, Da:	1.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866345
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C2=[C+]C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations