Geometry & MOs

Info

ID:

447000

PubChem CID:

135279422

Reduced:

FN3O3H26C29 (1)

Stoich.:

AB3C3D26E29 (1)

Weight, g/mol:

462.195486

ΔHf, kcal/mol:

-54.47

Dipole, Da:

10.82

IP(EA), eV:

 -9.32(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[[5-[4-(dimethylcarbamoyl)-2,6-dimethylphenyl]-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)[C@H]4CC4C(=O)O)C)C5=NC=C(C=N5)C

DOS

IR

Vibrations