Geometry & MOs

Info

ID:	353401
PubChem CID:	127284777
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	3.93
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)C3CCCC3

DOS

IR

Vibrations