Geometry & MOs

Info

ID:	386410
PubChem CID:	134981649
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	2.19
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-6-(4-methylphenyl)sulfonylhex-4-en-3-ol

Drug info:

PubChemData

Smile

COC(=O)C1=C([C@@H]([C@H]1C2=CC=CC=C2)CO)CO

DOS

IR

Vibrations