Geometry & MOs

Info

ID:	394175
PubChem CID:	135022475
Reduced:	ClNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	5.64
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-(4-methylphenyl)sulfonyl-6-(1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C3=CC=CC=N3

DOS

IR

Vibrations