Geometry & MOs

Info

ID:	268098
PubChem CID:	103597861
Reduced:	NF3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	344.080633
ΔH_f, kcal/mol:	-310.36
Dipole, Da:	9.01
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)NCCCOCC(F)(F)F

DOS

IR

Vibrations