Geometry & MOs

Info

ID:

431074

PubChem CID:

135171144

Reduced:

SN3O3C25H31 (1)

Stoich.:

AB3C3D25E31 (1)

Weight, g/mol:

477.23108

ΔHf, kcal/mol:

-77.67

Dipole, Da:

8.19

IP(EA), eV:

 -8.42(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(5E)-5-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-6H-thieno[2,3-b]pyridin-4-yl]amino]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)S(=O)(=O)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations