Geometry & MOs

Info

ID:	313073
PubChem CID:	126611652
Reduced:	NSF3O5C8H12 (1)
Stoich.:	ABC3D5E8F12 (1)
Weight, g/mol:	419.166748
ΔH_f, kcal/mol:	-372.4
Dipole, Da:	4.53
IP(EA), eV:	-10.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-benzyl-7-ethylsulfanyl-2-methylbenzimidazol-5-yl)-3-methoxy-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)OC[C@@H]1C[C@H](CN1C(=O)C(F)(F)F)O

DOS

IR

Vibrations