Geometry & MOs

Info

ID:

440498

PubChem CID:

135230484

Reduced:

F3O3N7C27H28 (1)

Stoich.:

A3B3C7D27E28 (1)

Weight, g/mol:

633.262357

ΔHf, kcal/mol:

-100.25

Dipole, Da:

7.86

IP(EA), eV:

 -8.76(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations