Geometry & MOs

Info

ID:	188181
PubChem CID:	77679970
Reduced:	ClSF3O4N5C17H19 (1)
Stoich.:	ABC3D4E5F17G19 (1)
Weight, g/mol:	487.136139
ΔH_f, kcal/mol:	-283.61
Dipole, Da:	5.77
IP(EA), eV:	-8.99(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-ethyl-6-[methyl(sulfinato)amino]-9-oxo-1,2,3,4,5,6,7,8,8a,10a-decahydrothioxanthen-2-yl]-1,3-dioxoisoindole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C(C)(C(F)(F)F)O)Cl)N(C)C

DOS

IR

Vibrations