Geometry & MOs

Info

ID:	141430
PubChem CID:	52876984
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	402.083863
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	9.28
IP(EA), eV:	-7.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-chloroanilino)piperidin-1-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CN=C(C=C3)N4CCCC4

DOS

IR

Vibrations