Geometry & MOs

Info

ID:

46652

PubChem CID:

10525967

Reduced:

N2O3C26H28 (1)

Stoich.:

A2B3C26D28 (1)

Weight, g/mol:

416.329045

ΔHf, kcal/mol:

-56.46

Dipole, Da:

3.8

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)/C=C(\C#N)/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations