Geometry & MOs

Info

ID:	382795
PubChem CID:	134974145
Reduced:	SF3O7C10H17 (1)
Stoich.:	AB3C7D10E17 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-438.42
Dipole, Da:	5.38
IP(EA), eV:	-9.86(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-phenylhex-5-en-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1C(OCC(C1OC)OC)COS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations