Geometry & MOs

Info

ID:	156139
PubChem CID:	56369293
Reduced:	ClSO3N5C22H30 (1)
Stoich.:	ABC3D5E22F30 (1)
Weight, g/mol:	487.144489
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	1.25
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C(=N1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)C)Cl

DOS

IR

Vibrations