Geometry & MOs

Info

ID:

16819

PubChem CID:

477085

Reduced:

SO5C28H36 (1)

Stoich.:

AB5C28D36 (1)

Weight, g/mol:

484.228345

ΔHf, kcal/mol:

-213.78

Dipole, Da:

6.76

IP(EA), eV:

 -8.04(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(O[C@@](CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

DOS

IR

Vibrations