Geometry & MOs

Info

ID:	121159
PubChem CID:	50757577
Reduced:	FN2S2O3H21C22 (1)
Stoich.:	AB2C2D3E21F22 (1)
Weight, g/mol:	444.097763
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	5.15
IP(EA), eV:	-8.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCSCC4)F)C

DOS

IR

Vibrations