Geometry & MOs

Info

ID:	88308
PubChem CID:	49902872
Reduced:	FNSBr3O3H15C24 (1)
Stoich.:	ABCD3E3F15G24 (1)
Weight, g/mol:	505.01947
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	3.76
IP(EA), eV:	-9.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)F)Br)/SC2=O)Br

DOS

IR

Vibrations