Geometry & MOs

Info

ID:	399730
PubChem CID:	135042107
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	309.022642
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	1.75
IP(EA), eV:	-9.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1C(=C(CCO1)C2=CC=CC=C2)C

DOS

IR

Vibrations