Geometry & MOs

Info

ID:	140569
PubChem CID:	52720607
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	464.269536
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	8.42
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,3R)-1-[[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoylamino]methyl]-3-methylcyclohexyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@](C1)(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)N(C)C

DOS

IR

Vibrations