Geometry & MOs

Info

ID:	85537
PubChem CID:	49876581
Reduced:	ClOSN2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	518.107193
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	5.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]benzamide;chloride

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C(=O)C2=CC3=C(S2)CCCC3.[Cl-]

DOS

IR

Vibrations