Geometry & MOs

Info

ID:	86597
PubChem CID:	49887516
Reduced:	BrClSN2O5H24C28 (1)
Stoich.:	ABCD2E5F24G28 (1)
Weight, g/mol:	382.054277
ΔH_f, kcal/mol:	-131.11
Dipole, Da:	1.72
IP(EA), eV:	-8.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(2-methyl-1H-indol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)Br)OCC(=O)NC4=CC=CC(=C4)C

DOS

IR

Vibrations