Geometry & MOs

Info

ID:	399741
PubChem CID:	135042177
Reduced:	ON2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	309.022642
ΔH_f, kcal/mol:	29.47
Dipole, Da:	6.65
IP(EA), eV:	-8.78(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C2C1=NC3=CC=CC=C3N2

DOS

IR

Vibrations