Geometry & MOs

Info

ID:	323314
PubChem CID:	126674120
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	3.86
IP(EA), eV:	-8.8(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-hydroxy-6-[(2-methylsulfanylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24)NC(=O)O

DOS

IR

Vibrations