Geometry & MOs

Info

ID:	195919
PubChem CID:	78748882
Reduced:	FN2O6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	406.055419
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	8.64
IP(EA), eV:	-9.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl] 4-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations