Geometry & MOs

Info

ID:

43338

PubChem CID:

10321151

Reduced:

N2O2C29H34 (1)

Stoich.:

A2B2C29D34 (1)

Weight, g/mol:

442.30831

ΔHf, kcal/mol:

-36.72

Dipole, Da:

5.48

IP(EA), eV:

 -8.09(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1E,3Z,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-9,11,13,15-tetramethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)C4CCN(CC4)C(C)C

DOS

IR

Vibrations