Geometry & MOs

Info

ID:

308784

PubChem CID:

126522673

Reduced:

OSN5H17C24 (1)

Stoich.:

ABC5D17E24 (1)

Weight, g/mol:

534.183795

ΔHf, kcal/mol:

153.94

Dipole, Da:

8.3

IP(EA), eV:

 -8.57(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)O)NN4)/C=C23

DOS

IR

Vibrations