Geometry & MOs

Info

ID:	121161
PubChem CID:	50757627
Reduced:	ClSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	2.73
IP(EA), eV:	-9.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)C2=C(C=NC3=CC=CC=C32)C(=O)N4CCCCC4

DOS

IR

Vibrations