Geometry & MOs

Info

ID:

440351

PubChem CID:

135230310

Reduced:

F2O3N7C29H29 (1)

Stoich.:

A2B3C7D29E29 (1)

Weight, g/mol:

604.235808

ΔHf, kcal/mol:

-37.27

Dipole, Da:

9.96

IP(EA), eV:

 -9.26(-0.97)

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-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations