Geometry & MOs

Info

ID:

440409

PubChem CID:

135230386

Reduced:

F2O3N7H25C26 (1)

Stoich.:

A2B3C7D25E26 (1)

Weight, g/mol:

561.191164

ΔHf, kcal/mol:

-47.53

Dipole, Da:

10.04

IP(EA), eV:

 -9.01(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations