Geometry & MOs

Info

ID:

437408

PubChem CID:

135226269

Reduced:

F2O5N6C30H32 (1)

Stoich.:

A2B5C6D30E32 (1)

Weight, g/mol:

561.261214

ΔHf, kcal/mol:

-164.55

Dipole, Da:

9.33

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)CO)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