Geometry & MOs

Info

ID:

437400

PubChem CID:

135226209

Reduced:

FO2N3C15H17 (2)

Stoich.:

AB2C3D15E17 (2)

Weight, g/mol:

538.250395

ΔHf, kcal/mol:

-141.42

Dipole, Da:

12.28

IP(EA), eV:

 -8.99(-0.63)

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-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCN(CC2)C(=O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations