Geometry & MOs

Info

ID:

440375

PubChem CID:

135230334

Reduced:

FO5N7C31H36 (1)

Stoich.:

AB5C7D31E36 (1)

Weight, g/mol:

548.234745

ΔHf, kcal/mol:

-111.08

Dipole, Da:

8.72

IP(EA), eV:

 -8.89(-0.81)

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-5-(6-methylpyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations