Geometry & MOs

Info

ID:	80490
PubChem CID:	49834730
Reduced:	FSN3O5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	516.05185
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	8.47
IP(EA), eV:	-9.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[3-(4-bromophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations