Geometry & MOs

Info

ID:	50181
PubChem CID:	12012691
Reduced:	NSCl2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	448.91189
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	8.18
IP(EA), eV:	-10.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(5,6-dibromo-2,3-dimethyl-4-oxocyclohex-2-en-1-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C(C(C(=O)C(=C2C)C)Cl)Cl

DOS

IR

Vibrations