Geometry & MOs

Info

ID:	139019
PubChem CID:	52459278
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	400.118985
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	3.22
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)C4CC4

DOS

IR

Vibrations