Geometry & MOs

Info

ID:	351430
PubChem CID:	127280318
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	4.02
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N(C)CCN3CCCC3

DOS

IR

Vibrations