Geometry & MOs

Info

ID:	32533
PubChem CID:	7842241
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	406.078742
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	2.27
IP(EA), eV:	-9.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CC1)OC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations