Geometry & MOs

Info

ID:	338358
PubChem CID:	127259050
Reduced:	NSO6C18H31 (1)
Stoich.:	ABC6D18E31 (1)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-310.44
Dipole, Da:	4.79
IP(EA), eV:	-10.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)CC(C1=O)S(=O)(=O)CCCCCCCCOC(=O)C

DOS

IR

Vibrations