Geometry & MOs

Info

ID:	175289
PubChem CID:	75879971
Reduced:	ClSN3O3C22H29 (1)
Stoich.:	ABC3D3E22F29 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005319
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

DOS

IR

Vibrations