Geometry & MOs

Info

ID:	155549
PubChem CID:	56365885
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	430.148177
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	3.81
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(2-chlorophenyl)sulfanyl-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations