Geometry & MOs

Info

ID:	237217
PubChem CID:	92717923
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	449.06266
ΔH_f, kcal/mol:	-131.98
Dipole, Da:	8.28
IP(EA), eV:	-9.34(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)CCC(=O)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations