Geometry & MOs

Info

ID:	80488
PubChem CID:	49834725
Reduced:	SO3F4N5C25H25 (1)
Stoich.:	AB3C4D5E25F25 (1)
Weight, g/mol:	516.118892
ΔH_f, kcal/mol:	-243.07
Dipole, Da:	8.42
IP(EA), eV:	-8.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)CNC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations