Geometry & MOs

Info

ID:	140565
PubChem CID:	52720603
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	3.36
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,3R)-1-[[[3-(benzenesulfonamido)benzoyl]amino]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