Geometry & MOs

Info

ID:

335187

PubChem CID:

127254048

Reduced:

O7H16C26 (1)

Stoich.:

A7B16C26 (1)

Weight, g/mol:

493.246438

ΔHf, kcal/mol:

-149.71

Dipole, Da:

6.82

IP(EA), eV:

 -9.04(-1.49)

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-[(13S)-13-tricyclo[7.3.1.02,7]tridec-2(7)-enyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=COC6=CC=CC=C6C5=O

DOS

IR

Vibrations