Geometry & MOs

Info

ID:

437415

PubChem CID:

135226276

Reduced:

F2O3N9C27H29 (1)

Stoich.:

A2B3C9D27E29 (1)

Weight, g/mol:

519.239416

ΔHf, kcal/mol:

-37.79

Dipole, Da:

8.61

IP(EA), eV:

 -8.67(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-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)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(N=C5)F)F)CCOC

DOS

IR

Vibrations