Geometry & MOs

Info

ID:	371523
PubChem CID:	127346797
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	5.14
IP(EA), eV:	-9.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NOC=C1)C(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations