Geometry & MOs

Info

ID:

437414

PubChem CID:

135226275

Reduced:

FO3N8C30H31 (1)

Stoich.:

AB3C8D30E31 (1)

Weight, g/mol:

565.236142

ΔHf, kcal/mol:

12.04

Dipole, Da:

5.38

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-(methylamino)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C=N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=CC=C6)F)CCOC

DOS

IR

Vibrations