Geometry & MOs

Info

ID:	56655
PubChem CID:	17504730
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	414.17102
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	6.52
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations