Geometry & MOs

Info

ID:	70031
PubChem CID:	47206970
Reduced:	ClNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	299.057592
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	2.51
IP(EA), eV:	-9.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations