Geometry & MOs

Info

ID:	338826
PubChem CID:	127259837
Reduced:	NSO3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	11.65
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N/C(=C\2/C=CC(=O)C=C2O)/S)O

DOS

IR

Vibrations