Geometry & MOs

Info

ID:	35839
PubChem CID:	7980390
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	396.039163
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	3.23
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations