Geometry & MOs

Info

ID:

437491

PubChem CID:

135226416

Reduced:

F2O3N9C29H31 (1)

Stoich.:

A2B3C9D29E31 (1)

Weight, g/mol:

609.24237

ΔHf, kcal/mol:

-26.52

Dipole, Da:

8.72

IP(EA), eV:

 -8.82(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC(C3)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations