Geometry & MOs

Info

ID:	123042
PubChem CID:	50831157
Reduced:	FO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	441.118084
ΔH_f, kcal/mol:	-136.01
Dipole, Da:	4.45
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(benzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCN(CC3=O)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations