Geometry & MOs

Info

ID:

436617

PubChem CID:

135206163

Reduced:

ClFNOH13C14 (1)

Stoich.:

ABCDE13F14 (1)

Weight, g/mol:

643.297011

ΔHf, kcal/mol:

-48.34

Dipole, Da:

3.27

IP(EA), eV:

 -9.71(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[4-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3,5-difluorophenyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1OCCC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations