Geometry & MOs

Info

ID:

437495

PubChem CID:

135226420

Reduced:

FO3N9C32H36 (1)

Stoich.:

AB3C9D32E36 (1)

Weight, g/mol:

643.303079

ΔHf, kcal/mol:

23.43

Dipole, Da:

7.26

IP(EA), eV:

 -8.48(-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-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC4(C3)CCC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations