Geometry & MOs

Info

ID:	338433
PubChem CID:	127259125
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	4.87
IP(EA), eV:	-10.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethenylphenyl)sulfonylethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCOCC1=CC=C(C=C1)C#N

DOS

IR

Vibrations