Geometry & MOs

Info

ID:	394155
PubChem CID:	135022432
Reduced:	O6C19H28 (1)
Stoich.:	A6B19C28 (1)
Weight, g/mol:	322.087495
ΔH_f, kcal/mol:	-275.29
Dipole, Da:	2.04
IP(EA), eV:	-9.64(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3-acetyloxy-6-phenylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C=C[C@H](O1)O[C@H]2CCC(C(=C)C2)(C)C)OC(=O)C

DOS

IR

Vibrations