Geometry & MOs

Info

ID:

440567

PubChem CID:

135230564

Reduced:

FO2N4C14H15 (2)

Stoich.:

AB2C4D14E15 (2)

Weight, g/mol:

512.209593

ΔHf, kcal/mol:

-84.43

Dipole, Da:

13.02

IP(EA), eV:

 -9.21(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(difluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)COC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(N=C5)F)F)CCOC

DOS

IR

Vibrations