Geometry & MOs

Info

ID:	339409
PubChem CID:	127261305
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	3.31
IP(EA), eV:	-9.19(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(E)-2-methylsulfonylethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

C/C=C(\C)/CC1C=C(CC(C1C)C(=O)C)C

DOS

IR

Vibrations