Geometry & MOs

Info

ID:

334783

PubChem CID:

127253458

Reduced:

N4O5C24H26 (1)

Stoich.:

A4B5C24D26 (1)

Weight, g/mol:

484.159414

ΔHf, kcal/mol:

-134.0

Dipole, Da:

3.12

IP(EA), eV:

 -8.68(-0.91)

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-[[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations