Geometry & MOs

Info

ID:

405056

PubChem CID:

135072372

Reduced:

OC16H22 (1)

Stoich.:

AB16C22 (1)

Weight, g/mol:

666.388017

ΔHf, kcal/mol:

-15.67

Dipole, Da:

1.3

IP(EA), eV:

 -8.8(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3E,6S,7R,8R,9Z)-8-hydroxy-12-[3-[[(3R,4E)-3-methoxyhepta-4,6-dienoyl]amino]-5-(methoxymethoxy)phenyl]-7,9-dimethyldodeca-1,3,9-trien-6-yl] (2R)-2-[[(E)-2-methylbut-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC=C(C)C1C[C@H]1CCCOC2=CC=CC=C2

DOS

IR

Vibrations