Geometry & MOs

Info

ID:	86993
PubChem CID:	49890379
Reduced:	NSCl3O6H14C20 (1)
Stoich.:	ABC3D6E14F20 (1)
Weight, g/mol:	546.95591
ΔH_f, kcal/mol:	-199.02
Dipole, Da:	5.86
IP(EA), eV:	-9.57(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Cl)OCC(=O)O

DOS

IR

Vibrations