Geometry & MOs

Info

ID:

437480

PubChem CID:

135226405

Reduced:

FO4N8C33H37 (1)

Stoich.:

AB4C8D33E37 (1)

Weight, g/mol:

629.251043

ΔHf, kcal/mol:

-50.1

Dipole, Da:

13.98

IP(EA), eV:

 -9.09(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyrazolo[3,4-b]pyridin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C3[C@@H]4CC[C@H]3COC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations