Geometry & MOs

Info

ID:	61891
PubChem CID:	26715454
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	379.120192
ΔH_f, kcal/mol:	-192.43
Dipole, Da:	6.65
IP(EA), eV:	-9.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(methylsulfamoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O

DOS

IR

Vibrations