Geometry & MOs

Info

ID:

440647

PubChem CID:

135230745

Reduced:

F2O4N8H30C31 (1)

Stoich.:

A2B4C8D30E31 (1)

Weight, g/mol:

626.217713

ΔHf, kcal/mol:

-79.39

Dipole, Da:

12.75

IP(EA), eV:

 -9.15(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(3,3,3-trifluoropropyl)-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=CN3C=C(N=C3C=C2)C(=O)N)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations