Geometry & MOs

Info

ID:	426540
PubChem CID:	135145896
Reduced:	OSN6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	471.18413
ΔH_f, kcal/mol:	21.12
Dipole, Da:	5.3
IP(EA), eV:	-7.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-7-(pyridin-3-ylmethylamino)thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C(=C(C(=O)N2)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)N

DOS

IR

Vibrations