Geometry & MOs

Info

ID:

231373

PubChem CID:

87573573

Reduced:

O6N11C53H63 (1)

Stoich.:

A6B11C53D63 (1)

Weight, g/mol:

553.268049

ΔHf, kcal/mol:

-139.9

Dipole, Da:

12.32

IP(EA), eV:

 -8.65(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexyl]amino]-N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=NN=C(N4C5=CC=C(C=C5)C6CCCCC6)C7=CC=C(C=C7)C8=CN=C(N8)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations