Geometry & MOs

Info

ID:

437501

PubChem CID:

135226426

Reduced:

FO4N10C31H35 (1)

Stoich.:

AB4C10D31E35 (1)

Weight, g/mol:

640.303413

ΔHf, kcal/mol:

-29.53

Dipole, Da:

11.37

IP(EA), eV:

 -8.69(-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-(1-methyl-3-pyrrolidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCN(C(=O)C3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations