Geometry & MOs

Info

ID:	246058
PubChem CID:	103040918
Reduced:	ClFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	333.096556
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.13
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

CC1C(=O)N(CCCN1)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations