Geometry & MOs

Info

ID:	51370
PubChem CID:	12014025
Reduced:	SSiO3C20H34 (1)
Stoich.:	ABC3D20E34 (1)
Weight, g/mol:	372.175916
ΔH_f, kcal/mol:	-205.49
Dipole, Da:	4.43
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-1-phenyl-4-(1-phenylsulfanylcyclohexyl)butane-1,2,4-triol

Drug info:

PubChemData

Smile

C[C@@H]([C@H](CC(=O)C(C)(C)SC1=CC=CC=C1)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations