Geometry & MOs

Info

ID:	244226
PubChem CID:	99319494
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	360.073298
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	3.15
IP(EA), eV:	-9.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CCCN(C1)C(=O)CCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations