Geometry & MOs

Info

ID:	218974
PubChem CID:	85090278
Reduced:	OF2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	354.201737
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	3.62
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[3,5-di(propan-2-yl)phenyl]sulfanyl-2-phenyloxane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(F)F

DOS

IR

Vibrations