Geometry & MOs

Info

ID:	87185
PubChem CID:	49892950
Reduced:	NSCl2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	522.057169
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	3.26
IP(EA), eV:	-8.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[1-(2-phenoxyethyl)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)OCC4=CC=CC(=C4)C

DOS

IR

Vibrations