Geometry & MOs

Info

ID:	263497
PubChem CID:	103372533
Reduced:	NSF3O3C7H14 (1)
Stoich.:	ABC3D3E7F14 (1)
Weight, g/mol:	330.90694
ΔH_f, kcal/mol:	-296.51
Dipole, Da:	4.49
IP(EA), eV:	-9.78(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COCCS(=O)(=O)CC(CN)C(F)(F)F

DOS

IR

Vibrations