Geometry & MOs

Info

ID:	137639
PubChem CID:	52237813
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	370.176681
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	7.99
IP(EA), eV:	-9.58(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[(2S)-2-hydroxy-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations