Geometry & MOs

Info

ID:	383213
PubChem CID:	134974804
Reduced:	SO9C17H22 (1)
Stoich.:	AB9C17D22 (1)
Weight, g/mol:	358.108624
ΔH_f, kcal/mol:	-357.41
Dipole, Da:	3.12
IP(EA), eV:	-9.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-4,5-diacetyloxy-3-methyl-6-prop-2-ynylsulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)SCC#C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations