Geometry & MOs

Info

ID:	413583
PubChem CID:	135086532
Reduced:	OSH14C16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	274.02509
ΔH_f, kcal/mol:	56.57
Dipole, Da:	3.16
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-bis(trifluoromethyl)-3-thiatricyclo[4.2.1.02,5]non-7-ene

Drug info:

PubChemData

Smile

CC(C#CSC1=CC=CC=C1)(C2=CC=CC=C2)O

DOS

IR

Vibrations