Geometry & MOs

Info

ID:	426544
PubChem CID:	135145902
Reduced:	BrClON3H9C15 (1)
Stoich.:	ABCD3E9F15 (1)
Weight, g/mol:	464.199445
ΔH_f, kcal/mol:	58.61
Dipole, Da:	1.18
IP(EA), eV:	-8.77(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)NC2=NC=CC3=CC(=CN=C32)C=O

DOS

IR

Vibrations