Geometry & MOs

Info

ID:	197030
PubChem CID:	78910755
Reduced:	ClFNSO3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	301.053942
ΔH_f, kcal/mol:	-171.35
Dipole, Da:	3.22
IP(EA), eV:	-9.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,1-dioxothiolan-3-yl)-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

C1C(C(CS1(=O)=O)Cl)NC(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations