Geometry & MOs

Info

ID:	32133
PubChem CID:	4266328
Reduced:	ClFOSN3H17C22 (1)
Stoich.:	ABCDE3F17G22 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	32.92
Dipole, Da:	2.38
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations