Geometry & MOs

Info

ID:	380195
PubChem CID:	134970553
Reduced:	SO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	398.158552
ΔH_f, kcal/mol:	-175.82
Dipole, Da:	4.56
IP(EA), eV:	-8.75(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations