Geometry & MOs

Info

ID:

187021

PubChem CID:

77519127

Reduced:

N5O5C23H25 (1)

Stoich.:

A5B5C23D25 (1)

Weight, g/mol:

461.221366

ΔHf, kcal/mol:

-110.73

Dipole, Da:

5.59

IP(EA), eV:

 -8.33(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-2-propan-2-ylpyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@@H]2CC3=C4C(=C5C(=C(C=CC5=O)N(C)C)C3)NN=C4[C@@]2(C(=C(C1=O)C(=O)N)O)O

DOS

IR

Vibrations