Geometry & MOs

Info

ID:

148746

PubChem CID:

53788415

Reduced:

O4C21H28 (2)

Stoich.:

A4B21C28 (2)

Weight, g/mol:

533.252586

ΔHf, kcal/mol:

-274.35

Dipole, Da:

12.53

IP(EA), eV:

 -8.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[4-[2-(oxan-2-ylmethoxy)ethylcarbamoyl]-1,3-oxazol-2-yl]phenyl]-7-pyridin-3-ylhept-6-enoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]([C@]1(C(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C)O)(C4(C)C)OC(=O)C)O

DOS

IR

Vibrations