Geometry & MOs

Info

ID:

298682

PubChem CID:

117653890

Reduced:

NO6C43H43 (1)

Stoich.:

AB6C43D43 (1)

Weight, g/mol:

505.413109

ΔHf, kcal/mol:

-140.81

Dipole, Da:

0.6

IP(EA), eV:

 -8.23(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z,2S,3R)-3-hydroxy-2-[[(1S,2S,5S)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-2-propan-2-yloctadec-4-enoic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C=C1)OCC2=CC=CC=C2)CN3C4[C@@](C[C@H](O4)COC(=O)C5=CC=CC=C5)(C6=CC=CC=C63)O)OCC7=CC=CC=C7

DOS

IR

Vibrations