Geometry & MOs

Info

ID:	16638
PubChem CID:	474118
Reduced:	SO4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	374.15518
ΔH_f, kcal/mol:	-134.94
Dipole, Da:	2.11
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3,5-dibenzyl-3,5-bis(hydroxymethyl)-1-oxothian-4-ol

Drug info:

PubChemData

Smile

C1[C@@](C([C@](CS1=O)(CC2=CC=CC=C2)CO)O)(CC3=CC=CC=C3)CO

DOS

IR

Vibrations