Geometry & MOs

Info

ID:	16419
PubChem CID:	467881
Reduced:	SCl2N2O3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	321.994569
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	4.28
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dichloro-2-sulfanylbenzimidazol-1-yl)methoxy]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1N(C(=N2)S)COC(CO)CO)Cl)Cl

DOS

IR

Vibrations