Geometry & MOs

Info

ID:	338355
PubChem CID:	127259047
Reduced:	O4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	305.093309
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	2.55
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(C2=CC=CC=C2C=C1)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations