Geometry & MOs

Info

ID:	357132
PubChem CID:	127293358
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-186.15
Dipole, Da:	5.42
IP(EA), eV:	-9.45(-0.83)
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-(oxolan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N(C)C3CCOC3

DOS

IR

Vibrations