Geometry & MOs

Info

ID:

446999

PubChem CID:

135279419

Reduced:

FO3N5H24C26 (1)

Stoich.:

AB3C5D24E26 (1)

Weight, g/mol:

483.19582

ΔHf, kcal/mol:

-13.82

Dipole, Da:

5.21

IP(EA), eV:

 -9.34(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[[5-[2,6-dimethyl-4-(5-methylpyrimidin-2-yl)phenyl]-2-fluorophenyl]methoxy]pyridin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC(=C(C=C2)F)COC3=CN=C(C=C3)C4C[C@H]4C(=O)O)C)C5=NN(N=N5)C

DOS

IR

Vibrations