Geometry & MOs

Info

ID:	86775
PubChem CID:	49889208
Reduced:	INCl2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	503.070655
ΔH_f, kcal/mol:	-153.53
Dipole, Da:	6.29
IP(EA), eV:	-8.25(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[1-[(4-nitrophenyl)methyl]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)I)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations