Geometry & MOs

Info

ID:	227075
PubChem CID:	87560062
Reduced:	ClLiNSO3H5C9 (1)
Stoich.:	ABCDE3F5G9 (1)
Weight, g/mol:	326.141913
ΔH_f, kcal/mol:	-112.08
Dipole, Da:	3.04
IP(EA), eV:	-9.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(2-phenoxyphenyl)prop-2-enyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

[Li+].C1=CC=C2C(=C1)C=C(C(=N2)Cl)S(=O)(=O)[O-]

DOS

IR

Vibrations