Geometry & MOs

Info

ID:	148991
PubChem CID:	53788662
Reduced:	BrC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	428.217228
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	2.5
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentafluoro-[4-[(4-octylcyclohexyl)methoxy]phenyl]-lambda6-sulfane

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CCBr)C

DOS

IR

Vibrations