Geometry & MOs

Info

ID:

440401

PubChem CID:

135230361

Reduced:

FO5N7C26H28 (1)

Stoich.:

AB5C7D26E28 (1)

Weight, g/mol:

624.222049

ΔHf, kcal/mol:

-51.64

Dipole, Da:

11.73

IP(EA), eV:

 -8.72(-0.57)

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-[2-(3,4-difluorophenyl)-4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2=NOC=C2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations