Geometry & MOs

Info

ID:	83976
PubChem CID:	49862999
Reduced:	SO3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	277.032813
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	7.46
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(benzylamino)-sulfanylmethylidene]-4-chlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations