Geometry & MOs

Info

ID:	88054
PubChem CID:	49900290
Reduced:	FNSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	542.93096
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	3.14
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-bromo-2-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations