Geometry & MOs

Info

ID:	413787
PubChem CID:	135086737
Reduced:	BrSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	374.060425
ΔH_f, kcal/mol:	43.57
Dipole, Da:	3.77
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(5-chloro-3-diazo-1-ethylindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=C(N2C)C=CC(=C3)Br

DOS

IR

Vibrations