Geometry & MOs

Info

ID:

437494

PubChem CID:

135226419

Reduced:

FO4N9C32H36 (1)

Stoich.:

AB4C9D32E36 (1)

Weight, g/mol:

613.292514

ΔHf, kcal/mol:

-23.01

Dipole, Da:

8.74

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(2-azaspiro[3.3]heptan-2-yl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC4(C3)CCOC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations