Geometry & MOs

Info

ID:

440603

PubChem CID:

135230606

Reduced:

F2O4N6C29H30 (1)

Stoich.:

A2B4C6D29E30 (1)

Weight, g/mol:

512.234745

ΔHf, kcal/mol:

-108.77

Dipole, Da:

9.46

IP(EA), eV:

 -9.37(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylazetidin-3-yl)oxy-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations