Geometry & MOs

Info

ID:	431003
PubChem CID:	135171073
Reduced:	ClSN4O4C20H23 (1)
Stoich.:	ABC4D4E20F23 (1)
Weight, g/mol:	450.231414
ΔH_f, kcal/mol:	-93.43
Dipole, Da:	1.18
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)N4CCOCC4

DOS

IR

Vibrations