Geometry & MOs

Info

ID:	340400
PubChem CID:	127262411
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	214.012222
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	3.29
IP(EA), eV:	-8.77(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-methoxy-6-[methylsulfanyl(sulfanyl)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)OC/C=C/C

DOS

IR

Vibrations