Geometry & MOs

Info

ID:

440513

PubChem CID:

135230499

Reduced:

F2O3N6C31H38 (1)

Stoich.:

A2B3C6D31E38 (1)

Weight, g/mol:

501.248838

ΔHf, kcal/mol:

-85.11

Dipole, Da:

9.29

IP(EA), eV:

 -8.61(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-phenyl-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=C1OCC2CCN(CC2)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CC6CC6

DOS

IR

Vibrations