Geometry & MOs

Info

ID:	179182
PubChem CID:	76447510
Reduced:	OCl2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	487.982299
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	4.74
IP(EA), eV:	-10.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(trifluoromethylsulfonyloxy)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC(=O)C(Cl)(Cl)Cl)O)Cl

DOS

IR

Vibrations