Geometry & MOs

Info

ID:	430688
PubChem CID:	135170754
Reduced:	NSO3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	1.73
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CCSC1=CC(N(C1=O)O)OC

DOS

IR

Vibrations