Geometry & MOs

Info

ID:

334086

PubChem CID:

127252638

Reduced:

N2O7C26H30 (1)

Stoich.:

A2B7C26D30 (1)

Weight, g/mol:

473.191048

ΔHf, kcal/mol:

-217.68

Dipole, Da:

3.4

IP(EA), eV:

 -8.93(-0.45)

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-[2-[[2-(methoxymethyl)-1,2,4-triazol-3-yl]amino]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=CO2)N3CCCC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations