Geometry & MOs

Info

ID:

440378

PubChem CID:

135230337

Reduced:

FO3N10H29C30 (1)

Stoich.:

AB3C10D29E30 (1)

Weight, g/mol:

549.229994

ΔHf, kcal/mol:

62.4

Dipole, Da:

11.33

IP(EA), eV:

 -9.17(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-fluoro-6-methylpyridin-3-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=CC3=C(N=C2)N(C(=N3)C#N)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations