Geometry & MOs

Info

ID:	171691
PubChem CID:	75413975
Reduced:	NS2O6C13H17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-249.37
Dipole, Da:	10.45
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-2H-chromen-3-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCS(=O)(=O)C2)NC(=O)COC

DOS

IR

Vibrations