Geometry & MOs

Info

ID:

437499

PubChem CID:

135226424

Reduced:

FO4N9C30H34 (1)

Stoich.:

AB4C9D30E34 (1)

Weight, g/mol:

669.329962

ΔHf, kcal/mol:

-17.25

Dipole, Da:

7.2

IP(EA), eV:

 -8.69(-0.7)

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-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC(C3)OC)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations