Geometry & MOs

Info

ID:	401358
PubChem CID:	135051044
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	349.098394
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	4.09
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC(/C=C\C=O)C1=CC=CN1C(=O)OC

DOS

IR

Vibrations