Geometry & MOs

Info

ID:	173497
PubChem CID:	75644996
Reduced:	SN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	365.197751
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788867
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

C=CCC1C(=NC(=NC1=O)SCC(=O)N2CCOCC2)[O-]

DOS

IR

Vibrations