Geometry & MOs

Info

ID:	380196
PubChem CID:	134970556
Reduced:	SO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	398.158552
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	3.57
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6R)-6-(1,3-dithian-2-yl)-3-hydroxy-4-methyl-5-phenylmethoxyheptanoate

Drug info:

PubChemData

Smile

C[C@H]([C@H](CC(=O)OC)O)[C@@H](C(C)C1SCCCS1)OCC2=CC=CC=C2

DOS

IR

Vibrations