Geometry & MOs

Info

ID:	430680
PubChem CID:	135170746
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	5.78
IP(EA), eV:	-9.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(N(C1O)C2=NC(=NS2)C(C)C)O

DOS

IR

Vibrations