Geometry & MOs

Info

ID:

437465

PubChem CID:

135226390

Reduced:

FO4N10C32H37 (1)

Stoich.:

AB4C10D32E37 (1)

Weight, g/mol:

658.313978

ΔHf, kcal/mol:

-28.99

Dipole, Da:

8.58

IP(EA), eV:

 -8.5(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-[(1R,5S)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3C[C@@H]4COC[C@H](C3)N4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations