Geometry & MOs

Info

ID:

437496

PubChem CID:

135226421

Reduced:

FO4N9C33H38 (1)

Stoich.:

AB4C9D33E38 (1)

Weight, g/mol:

629.287429

ΔHf, kcal/mol:

-28.78

Dipole, Da:

10.11

IP(EA), eV:

 -8.68(-0.75)

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-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCC4(CC3)COC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations