Geometry & MOs

Info

ID:	413476
PubChem CID:	135086425
Reduced:	N2F3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	388.099397
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	6.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089681
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-diazo-1-phenylindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1NC3=C2C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations