Geometry & MOs

Info

ID:	195157
PubChem CID:	78645554
Reduced:	OSN5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	332.056385
ΔH_f, kcal/mol:	90.55
Dipole, Da:	9.65
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-imino-2-oxopentyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(CSC1=NN=NN1C2=CC=C(C=C2)OC)C#N

DOS

IR

Vibrations