Geometry & MOs

Info

ID:

448104

PubChem CID:

135288497

Reduced:

SN7O9C49H79 (1)

Stoich.:

AB7C9D49E79 (1)

Weight, g/mol:

519.213121

ΔHf, kcal/mol:

-429.39

Dipole, Da:

7.33

IP(EA), eV:

 -9.15(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCC[C@H]1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)COC(=O)N

DOS

IR

Vibrations