Geometry & MOs

Info

ID:	17701
PubChem CID:	513019
Reduced:	SN2Cl3O4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	473.997461
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	6.08
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[5,6-dichloro-2-[(2-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl)Cl

DOS

IR

Vibrations