Geometry & MOs

Info

ID:

440377

PubChem CID:

135230336

Reduced:

F2O3N9C29H29 (1)

Stoich.:

A2B3C9D29E29 (1)

Weight, g/mol:

596.240813

ΔHf, kcal/mol:

-8.27

Dipole, Da:

9.3

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-cyano-3-methylimidazo[4,5-b]pyridin-6-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=C3C(=C2)C=NN3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)F)F)CCOC

DOS

IR

Vibrations