Geometry & MOs

Info

ID:	413931
PubChem CID:	135086882
Reduced:	ON2H26C32 (1)
Stoich.:	AB2C26D32 (1)
Weight, g/mol:	436.076075
ΔH_f, kcal/mol:	105.53
Dipole, Da:	2.66
IP(EA), eV:	-8.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(1-benzyl-5-chloro-3-diazoindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C

DOS

IR

Vibrations