Geometry & MOs

Info

ID:	86680
PubChem CID:	49888479
Reduced:	ClNS2O6H18C24 (1)
Stoich.:	ABC2D6E18F24 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	5.56
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations