Geometry & MOs

Info

ID:	80489
PubChem CID:	49834729
Reduced:	FN2S2O5C25H25 (1)
Stoich.:	AB2C2D5E25F25 (1)
Weight, g/mol:	483.12642
ΔH_f, kcal/mol:	-187.36
Dipole, Da:	7.37
IP(EA), eV:	-9.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(4-nitrophenyl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)CNC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations