Geometry & MOs

Info

ID:	382315
PubChem CID:	134973390
Reduced:	IO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	480.194671
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	8.87
IP(EA), eV:	-9.85(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tris(dimethylamino)-[6-[(4-methylphenyl)methylsulfamoyl]benzotriazol-1-yl]oxyphosphanium

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)I(=O)(OC2=O)O

DOS

IR

Vibrations