Geometry & MOs

Info

ID:	398627
PubChem CID:	135034413
Reduced:	SO9C21H26 (1)
Stoich.:	AB9C21D26 (1)
Weight, g/mol:	454.129754
ΔH_f, kcal/mol:	-396.68
Dipole, Da:	3.19
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4,5-triacetyloxy-6-(3-methylphenyl)sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=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