Geometry & MOs

Info

ID:	45660
PubChem CID:	10516146
Reduced:	ClNS2O4C7H8 (1)
Stoich.:	ABC2D4E7F8 (1)
Weight, g/mol:	271.069437
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	9.34
IP(EA), eV:	-10.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1E,3E)-1-hydroxy-1-methoxy-4-[4-(trifluoromethyl)phenyl]buta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)N)S(=O)(=O)Cl

DOS

IR

Vibrations