Geometry & MOs

Info

ID:

437485

PubChem CID:

135226410

Reduced:

F2O4N7C31H31 (1)

Stoich.:

A2B4C7D31E31 (1)

Weight, g/mol:

534.219095

ΔHf, kcal/mol:

-84.16

Dipole, Da:

11.5

IP(EA), eV:

 -9.06(-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-3-ylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN3C=C(N=C3C=C2)CO)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations