Geometry & MOs

Info

ID:	413786
PubChem CID:	135086736
Reduced:	ON2H24C31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	403.99426
ΔH_f, kcal/mol:	116.82
Dipole, Da:	1.46
IP(EA), eV:	-8.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(5-bromo-3-diazo-1-methylindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)C#CC5=CC=CC=C5

DOS

IR

Vibrations