Geometry & MOs

Info

ID:	163575
PubChem CID:	58036690
Reduced:	BIrO2N4H12C20 (1)
Stoich.:	ABC2D4E12F20 (1)
Weight, g/mol:	192.059738
ΔH_f, kcal/mol:	266.15
Dipole, Da:	34.54
IP(EA), eV:	-9.15(-5.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tritritiomethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

[B]1N(C2=CC=CC=C2N1C3=NOC4=CC=CC=C43)C5=NOC6=CC=CC=C65.[Ir]

DOS

IR

Vibrations