Geometry & MOs

Info

ID:	191123
PubChem CID:	78107337
Reduced:	SN5O7C11H19 (1)
Stoich.:	AB5C7D11E19 (1)
Weight, g/mol:	477.165703
ΔH_f, kcal/mol:	-233.86
Dipole, Da:	5.93
IP(EA), eV:	-9.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[4-(4-butylpiperazin-1-yl)phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(CC(=O)NNC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)N

DOS

IR

Vibrations