Geometry & MOs

Info

ID:	51380
PubChem CID:	12014036
Reduced:	SO3C24H28 (1)
Stoich.:	AB3C24D28 (1)
Weight, g/mol:	370.160266
ΔH_f, kcal/mol:	-107.98
Dipole, Da:	1.8
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3,4-dihydroxy-4-phenyl-1-(1-phenylsulfanylcyclohexyl)butan-1-one

Drug info:

PubChemData

Smile

C[C@@]12O[C@@H](C[C@H](O1)C3(CCCCC3)SC4=CC=CC=C4)[C@@H](O2)C5=CC=CC=C5

DOS

IR

Vibrations