Geometry & MOs

Info

ID:	16351
PubChem CID:	465096
Reduced:	N2Cl3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	335.983525
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	6.08
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5R)-2-methyl-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1C([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)O)O

DOS

IR

Vibrations