Geometry & MOs

Info

ID:	156114
PubChem CID:	56369188
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	6.91
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations