Geometry & MOs

Info

ID:

298117

PubChem CID:

117647584

Reduced:

SO6C29H38 (1)

Stoich.:

AB6C29D38 (1)

Weight, g/mol:

478.121688

ΔHf, kcal/mol:

-270.13

Dipole, Da:

1.67

IP(EA), eV:

 -8.85(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S,6R)-5-acetyloxy-2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-3-methyl-6-methylsulfanyloxan-4-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)C)CC3=CC=C(C=C3)CCCCO)SC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations