Geometry & MOs

Info

ID:	121590
PubChem CID:	50774162
Reduced:	NF2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	413.199094
ΔH_f, kcal/mol:	-207.93
Dipole, Da:	3.37
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-hydroxy-3-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=O)N(C(=O)C2)C3=C(C=C(C=C3)F)F)OC

DOS

IR

Vibrations