Geometry & MOs

Info

ID:

322617

PubChem CID:

126670662

Reduced:

ON4H34C38 (1)

Stoich.:

AB4C34D38 (1)

Weight, g/mol:

609.11577

ΔHf, kcal/mol:

115.28

Dipole, Da:

2.64

IP(EA), eV:

 -8.37(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-1,1-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC2[C@H]1C(C3=CC(=CC4=C3N2C5=C4C=CC=N5)C(C)(C)C)OC6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC=CC=N9

DOS

IR

Vibrations