Geometry & MOs

Info

ID:	403918
PubChem CID:	135062519
Reduced:	S2O4C33H34 (1)
Stoich.:	A2B4C33D34 (1)
Weight, g/mol:	586.221152
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	2.63
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-6-hydroxy-1,1-bis[(4-methylphenyl)sulfanyl]-5,7-bis(phenylmethoxy)heptan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]([C@H](C(=O)CCC(SC2=CC=CC=C2)SC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations