Geometry & MOs

Info

ID:	121587
PubChem CID:	50774159
Reduced:	FNO5H24C26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	495.05038
ΔH_f, kcal/mol:	-156.45
Dipole, Da:	1.97
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylsulfanylphenyl)methyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=CC=C3F)CC4=C(C=C(C=C4)OC)OC)O

DOS

IR

Vibrations