Geometry & MOs

Info

ID:

437483

PubChem CID:

135226408

Reduced:

F2O3N7C27H29 (1)

Stoich.:

A2B3C7D27E29 (1)

Weight, g/mol:

576.266045

ΔHf, kcal/mol:

-86.65

Dipole, Da:

7.32

IP(EA), eV:

 -8.74(-0.87)

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-[5-[3-(dimethylamino)phenyl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=N3)NC(=O)N[C@@H]4C[C@H](O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations