Geometry & MOs

Info

ID:

437498

PubChem CID:

135226423

Reduced:

FO4N9C31H34 (1)

Stoich.:

AB4C9D31E34 (1)

Weight, g/mol:

603.271779

ΔHf, kcal/mol:

-9.19

Dipole, Da:

8.4

IP(EA), eV:

 -8.53(-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-[5-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3C[C@H]4C[C@@H](C3)O4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations