Geometry & MOs

Info

ID:	188182
PubChem CID:	77679977
Reduced:	N2S2O5C24H27 (1)
Stoich.:	A2B2C5D24E27 (1)
Weight, g/mol:	488.143964
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	8.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.899914
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC2=C(CC1N3C(=O)C4=CC=CC=C4C3=O)C(=O)C5CCC(CC5S2)N(C)S(=O)[O-]

DOS

IR

Vibrations