Geometry & MOs

Info

ID:	121158
PubChem CID:	50757576
Reduced:	ClSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	444.097763
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	6.39
IP(EA), eV:	-9.7(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3N=C2)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations