Geometry & MOs

Info

ID:	301894
PubChem CID:	123099410
Reduced:	ClSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-99.87
Dipole, Da:	3.03
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)S(=O)CC(=O)N2CCCC3=CC=CC=C32)Cl

DOS

IR

Vibrations