Geometry & MOs

Info

ID:	362145
PubChem CID:	127305831
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-154.96
Dipole, Da:	11.55
IP(EA), eV:	-9.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations