Geometry & MOs

Info

ID:

396620

PubChem CID:

135028891

Reduced:

N2O3C21H26 (1)

Stoich.:

A2B3C21D26 (1)

Weight, g/mol:

514.293054

ΔHf, kcal/mol:

-33.57

Dipole, Da:

3.55

IP(EA), eV:

-8.58(-0.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)prop-2-enyl]-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C[N+](=C2C=C1)[O-])[C@H](C3CC4CCN3CC4C=C)OC

DOS

IR

Vibrations