Geometry & MOs

Info

ID:

436634

PubChem CID:

135206345

Reduced:

FNO2C14H19 (2)

Stoich.:

ABC2D14E19 (2)

Weight, g/mol:

531.309707

ΔHf, kcal/mol:

-261.12

Dipole, Da:

8.38

IP(EA), eV:

 -8.76(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-[(2-methylphenyl)methoxy]pyridin-2-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=C(C(=C(C=C3)OC(C)C)F)F

DOS

IR

Vibrations