Geometry & MOs

Info

ID:

440644

PubChem CID:

135230705

Reduced:

FO3N10C33H37 (1)

Stoich.:

AB3C10D33E37 (1)

Weight, g/mol:

553.204922

ΔHf, kcal/mol:

31.84

Dipole, Da:

11.04

IP(EA), eV:

 -8.56(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-fluoroethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N3CCN(CC3)CC#N)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations