Geometry & MOs

Info

ID:

309644

PubChem CID:

126551808

Reduced:

OF2C22H36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

669.445197

ΔHf, kcal/mol:

-207.61

Dipole, Da:

4.16

IP(EA), eV:

 -9.09(1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-hydroxy-4,8-dimethyl-7-oxoundecan-3-yl) 1-[2-[(2R,3R,5S,6R)-2-hydroxy-5-methoxy-6-(1-methoxy-3-methylhexyl)-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)[C@@H]2CCC(=CC2)C3CCC(CC3)OC(F)F

DOS

IR

Vibrations