Geometry & MOs

Info

ID:

448082

PubChem CID:

135288297

Reduced:

SN8H26C28 (1)

Stoich.:

AB8C26D28 (1)

Weight, g/mol:

536.174293

ΔHf, kcal/mol:

220.11

Dipole, Da:

10.99

IP(EA), eV:

 -8.54(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC=CS7

DOS

IR

Vibrations