Geometry & MOs

Info

ID:	155523
PubChem CID:	56365859
Reduced:	ClO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	424.218449
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	8.71
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-4-propan-2-ylsulfanyl-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3CCN(CC3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations