Geometry & MOs

Info

ID:	61967
PubChem CID:	26716339
Reduced:	SN3O3C25H36 (1)
Stoich.:	AB3C3D25E36 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070786
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)[NH+]4CCCCC4

DOS

IR

Vibrations