Geometry & MOs

Info

ID:	134347
PubChem CID:	51684226
Reduced:	ClFNSO4H11C15 (1)
Stoich.:	ABCDE4F11G15 (1)
Weight, g/mol:	272.122144
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	5.47
IP(EA), eV:	-9.86(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)propyl-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)[N-]C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations