Geometry & MOs

Info

ID:	398628
PubChem CID:	135034417
Reduced:	SO9C21H26 (1)
Stoich.:	AB9C21D26 (1)
Weight, g/mol:	416.069652
ΔH_f, kcal/mol:	-398.3
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-4,5-diacetyloxy-6-(4-chlorophenyl)sulfanyl-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S[C@H]2C(C([C@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations