Geometry & MOs

Info

ID:	195831
PubChem CID:	78738974
Reduced:	ClFNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	393.077928
ΔH_f, kcal/mol:	-177.35
Dipole, Da:	1.56
IP(EA), eV:	-9.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations