Geometry & MOs

Info

ID:	87337
PubChem CID:	49894163
Reduced:	BrSN3O6H24C28 (1)
Stoich.:	ABC3D6E24F28 (1)
Weight, g/mol:	508.026263
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	0.67
IP(EA), eV:	-8.94(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,6-dichlorophenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations