Geometry & MOs

Info

ID:	403919
PubChem CID:	135062520
Reduced:	S2O4C35H38 (1)
Stoich.:	A2B4C35D38 (1)
Weight, g/mol:	462.189852
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	5.0
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(CCC(=O)[C@@H]([C@@H](COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)SC4=CC=C(C=C4)C

DOS

IR

Vibrations