Geometry & MOs

Info

ID:

326209

PubChem CID:

126687139

Reduced:

ClFON7C20H25 (1)

Stoich.:

ABCD7E20F25 (1)

Weight, g/mol:

528.216428

ΔHf, kcal/mol:

-18.48

Dipole, Da:

3.24

IP(EA), eV:

 -8.22(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)N1CCC[C@@H](C1)NC2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl

DOS

IR

Vibrations