Geometry & MOs

Info

ID:	87177
PubChem CID:	49892909
Reduced:	NSCl3O5H18C26 (1)
Stoich.:	ABC3D5E18F26 (1)
Weight, g/mol:	537.031683
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	3.09
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)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=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations