Geometry & MOs

Info

ID:

440631

PubChem CID:

135230657

Reduced:

F2O3N8C30H30 (1)

Stoich.:

A2B3C8D30E30 (1)

Weight, g/mol:

537.229994

ΔHf, kcal/mol:

-31.97

Dipole, Da:

6.68

IP(EA), eV:

 -8.87(-0.75)

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-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C=N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations