Geometry & MOs

Info

ID:	352543
PubChem CID:	127283631
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	3.23
IP(EA), eV:	-9.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC(=C)CC2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations