Geometry & MOs

Info

ID:

191125

PubChem CID:

78107863

Reduced:

SO3N5C24H25 (1)

Stoich.:

AB3C5D24E25 (1)

Weight, g/mol:

528.220907

ΔHf, kcal/mol:

-24.98

Dipole, Da:

7.96

IP(EA), eV:

 -8.64(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyridin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=C(C=C4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations