Geometry & MOs

Info

ID:	237218
PubChem CID:	92717924
Reduced:	BrNO3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	449.06266
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	4.71
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H](C(=C(C2=O)O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br

DOS

IR

Vibrations