Geometry & MOs

Info

ID:

16855

PubChem CID:

477752

Reduced:

NS2O6C26H33 (1)

Stoich.:

AB2C6D26E33 (1)

Weight, g/mol:

519.17493

ΔHf, kcal/mol:

-244.12

Dipole, Da:

5.51

IP(EA), eV:

 -8.17(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NS(=O)(=O)C)C(C)(C)C)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O

DOS

IR

Vibrations