Geometry & MOs

Info

ID:	16450
PubChem CID:	469444
Reduced:	SCl2N2O4C13H14 (1)
Stoich.:	AB2C2D4E13F14 (1)
Weight, g/mol:	364.005133
ΔH_f, kcal/mol:	-142.85
Dipole, Da:	3.57
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(4,6-dichloro-2-methylsulfanylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CSC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C=C(C=C2Cl)Cl

DOS

IR

Vibrations