Geometry & MOs

Info

ID:

437463

PubChem CID:

135226388

Reduced:

FO3N10C32H37 (1)

Stoich.:

AB3C10D32E37 (1)

Weight, g/mol:

659.28924

ΔHf, kcal/mol:

31.65

Dipole, Da:

8.77

IP(EA), eV:

 -8.4(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3C[C@H]4C[C@@H](C3)N4C)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations