Geometry & MOs

Info

ID:	121153
PubChem CID:	50757571
Reduced:	BrClSN2O3H16C20 (1)
Stoich.:	ABCD2E3F16G20 (1)
Weight, g/mol:	430.082113
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	1.93
IP(EA), eV:	-9.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-fluoro-4-methylphenyl)sulfonylquinolin-3-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations