Geometry & MOs

Info

ID:	121591
PubChem CID:	50774199
Reduced:	NO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	419.05209
ΔH_f, kcal/mol:	-47.05
Dipole, Da:	3.87
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations