Geometry & MOs

Info

ID:

334140

PubChem CID:

127252692

Reduced:

N4O4H28C29 (1)

Stoich.:

A4B4C28D29 (1)

Weight, g/mol:

517.188272

ΔHf, kcal/mol:

-27.72

Dipole, Da:

9.67

IP(EA), eV:

 -8.98(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[3-methylsulfanyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3CC4=C(C=CC(=C4)[N+](=O)[O-])N5[C@H]3C6CC(C5)C7=CC=CC(=O)N7C6

DOS

IR

Vibrations