Geometry & MOs

Info

ID:	49208
PubChem CID:	11528958
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	253.227989
ΔH_f, kcal/mol:	-61.62
Dipole, Da:	6.1
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4,7-dimethyl-1,3,3a,5,6,7a-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2

DOS

IR

Vibrations