Geometry & MOs

Info

ID:	121154
PubChem CID:	50757572
Reduced:	FN2S2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	458.113413
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	6.14
IP(EA), eV:	-9.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=NC3=CC=CC=C32)C(=O)N4CCSCC4)F

DOS

IR

Vibrations