Geometry & MOs

Info

ID:	137626
PubChem CID:	52236815
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-119.4
Dipole, Da:	6.9
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@H](C)S(=O)(=O)CC2=NC(=NO2)C3=CC=CC(=C3)C

DOS

IR

Vibrations