Geometry & MOs

Info

ID:	250094
PubChem CID:	103094061
Reduced:	ClFSN2O4H8C12 (1)
Stoich.:	ABCD2E4F8G12 (1)
Weight, g/mol:	218.001368
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	4.21
IP(EA), eV:	-9.79(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-chloropyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Cl

DOS

IR

Vibrations