Geometry & MOs

Info

ID:

308817

PubChem CID:

126522799

Reduced:

NO14C22H33 (1)

Stoich.:

AB14C22D33 (1)

Weight, g/mol:

540.173231

ΔHf, kcal/mol:

-605.66

Dipole, Da:

6.53

IP(EA), eV:

 -10.07(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1C(=O)COCCOCCOCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations