Geometry & MOs

Info

ID:

440403

PubChem CID:

135230370

Reduced:

FO4N7C28H30 (1)

Stoich.:

AB4C7D28E30 (1)

Weight, g/mol:

534.219095

ΔHf, kcal/mol:

-35.79

Dipole, Da:

9.2

IP(EA), eV:

 -9.07(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(4-methyl-2-phenyl-5-pyridin-4-ylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2=CN=CC=C2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations