Geometry & MOs

Info

ID:	30596
PubChem CID:	841553
Reduced:	BrO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	0.97
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C2=CC=C(O2)Br)C

DOS

IR

Vibrations