Geometry & MOs

Info

ID:

440524

PubChem CID:

135230510

Reduced:

FO2Cl3N3H19C21 (1)

Stoich.:

AB2C3D3E19F21 (1)

Weight, g/mol:

579.240559

ΔHf, kcal/mol:

-111.13

Dipole, Da:

6.46

IP(EA), eV:

 -8.76(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(1,5-dimethyl-6-oxopyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)C2=CN(C(=O)N2)C3=CC(=C(C=C3)Cl)Cl)F

DOS

IR

Vibrations