Geometry & MOs

Info

ID:

319932

PubChem CID:

126657617

Reduced:

SO2N8H28C29 (1)

Stoich.:

AB2C8D28E29 (1)

Weight, g/mol:

466.168814

ΔHf, kcal/mol:

106.27

Dipole, Da:

14.22

IP(EA), eV:

 -8.84(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[(2E)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]-5-ethynylimidazol-4-yl]-2-thiophen-2-ylethenamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(CC(C)(C)C)O)/N=C23

DOS

IR

Vibrations