Geometry & MOs

Info

ID:	413542
PubChem CID:	135086491
Reduced:	N2C13H13 (1)
Stoich.:	A2B13C13 (1)
Weight, g/mol:	402.115047
ΔH_f, kcal/mol:	57.46
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.206569
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=[N+](C2=C(C=C1)C3=CC=CC=C3N2)C

DOS

IR

Vibrations