Geometry & MOs

Info

ID:	407734
PubChem CID:	135080489
Reduced:	ClSO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	7.73
IP(EA), eV:	-10.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-methoxy-6-(1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C#CCCl

DOS

IR

Vibrations