Geometry & MOs

Info

ID:	397912
PubChem CID:	135030952
Reduced:	OSF5H7C10 (1)
Stoich.:	ABC5D7E10 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	-209.61
Dipole, Da:	5.08
IP(EA), eV:	-10.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R,9S,13S)-5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-ol

Drug info:

PubChemData

Smile

C1=CC2C3=C(C1O2)C=CC(=C3)S(F)(F)(F)(F)F

DOS

IR

Vibrations