Geometry & MOs

Info

ID:	339423
PubChem CID:	127261319
Reduced:	NO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	2.4
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-2-methylsulfonylethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC(=C(C=C1)O/N=C/C)O

DOS

IR

Vibrations