Geometry & MOs

Info

ID:	355024
PubChem CID:	127287885
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	1.84
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations