Geometry & MOs

Info

ID:	403920
PubChem CID:	135062521
Reduced:	S2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	558.189852
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	3.88
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-6-hydroxy-5,7-bis(phenylmethoxy)-1,1-bis(phenylsulfanyl)heptan-4-one

Drug info:

PubChemData

Smile

CCSC(CCC(=O)[C@H]([C@@H](COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)SCC

DOS

IR

Vibrations