Geometry & MOs

Info

ID:

437410

PubChem CID:

135226271

Reduced:

F2O3N8H28C30 (1)

Stoich.:

A2B3C8D28E30 (1)

Weight, g/mol:

579.251792

ΔHf, kcal/mol:

-10.07

Dipole, Da:

9.36

IP(EA), eV:

 -9.33(-1.27)

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-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=NC=CN=C3N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations