Geometry & MOs

Info

ID:

151413

PubChem CID:

53801226

Reduced:

O2C11H11 (2)

Stoich.:

A2B11C11 (2)

Weight, g/mol:

659.366947

ΔHf, kcal/mol:

-77.65

Dipole, Da:

0.72

IP(EA), eV:

 -8.28(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-hydroxy-5-[3-methoxy-4-methyl-8-[[(2S)-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyloxan-2-yl]propanoyl]amino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2=CC=CC=C2OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations