Geometry & MOs

Info

ID:

437493

PubChem CID:

135226418

Reduced:

FO4N9C32H36 (1)

Stoich.:

AB4C9D32E36 (1)

Weight, g/mol:

629.287429

ΔHf, kcal/mol:

-20.95

Dipole, Da:

10.38

IP(EA), eV:

 -8.6(-0.72)

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-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCC4(C3)COC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations