Geometry & MOs

Info

ID:	335452
PubChem CID:	127254314
Reduced:	BrClC3N4H6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	412.125121
ΔH_f, kcal/mol:	9.51
Dipole, Da:	3.54
IP(EA), eV:	-9.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-(4-sulfamoylphenyl)-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylidene]azanium;tetrafluoroborate

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)Br)N.Cl

DOS

IR

Vibrations