Geometry & MOs

Info

ID:	410678
PubChem CID:	135083479
Reduced:	AuFPH19C20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	596.02354
ΔH_f, kcal/mol:	89.54
Dipole, Da:	8.03
IP(EA), eV:	-7.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-2,1-benzoxabismole

Drug info:

PubChemData

Smile

CCP(C1=CC=CC=C1)C2=CC=CC=C2.C1=C[C-]=CC(=C1)F.[Au+]

DOS

IR

Vibrations