Geometry & MOs

Info

ID:	62260
PubChem CID:	26718685
Reduced:	ClFSN3O4H21C23 (1)
Stoich.:	ABCD3E4F21G23 (1)
Weight, g/mol:	454.136257
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	4.91
IP(EA), eV:	-8.69(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations