Geometry & MOs

Info

ID:	338825
PubChem CID:	127259836
Reduced:	O3S3H14C15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	261.045964
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	6.14
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-hydroxy-4-[(2-hydroxyanilino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)CSC(=S)C2=CC=CC=C2

DOS

IR

Vibrations