Geometry & MOs

Info

ID:	268072
PubChem CID:	103597673
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	0.14
Dipole, Da:	3.37
IP(EA), eV:	-9.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1Cl)ON=C(C2=CC=CS2)N

DOS

IR

Vibrations