Geometry & MOs

Info

ID:

440370

PubChem CID:

135230329

Reduced:

O3N6C26H28 (1)

Stoich.:

A3B6C26D28 (1)

Weight, g/mol:

610.236477

ΔHf, kcal/mol:

-9.48

Dipole, Da:

3.92

IP(EA), eV:

 -8.45(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@H]4[C@@H](OC(O4)(C)C)C5=CC=CC=C5

DOS

IR

Vibrations