Geometry & MOs

Info

ID:

448079

PubChem CID:

135288254

Reduced:

N6O9C47H74 (1)

Stoich.:

A6B9C47D74 (1)

Weight, g/mol:

396.090564

ΔHf, kcal/mol:

-405.29

Dipole, Da:

7.13

IP(EA), eV:

 -8.95(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-(5-pyrimidin-5-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)-4-thiophen-3-ylimidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCC(C)C(C(CC)CC(=O)N1CCC[C@H]1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)OC3=CC=CC(=C3)NC(=O)O

DOS

IR

Vibrations