Geometry & MOs

Info

ID:	338359
PubChem CID:	127259051
Reduced:	NSO4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	343.18173
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	1.91
IP(EA), eV:	-9.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylheptyl acetate

Drug info:

PubChemData

Smile

CCCCN1C(=O)CC(C1=O)SCCOC(=O)C

DOS

IR

Vibrations