Geometry & MOs

Info

ID:	140566
PubChem CID:	52720604
Reduced:	SN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	10.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065857
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[[(1S,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations