Geometry & MOs

Info

ID:	120762
PubChem CID:	50743705
Reduced:	BrNO5H24C26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	439.080906
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	1.11
IP(EA), eV:	-8.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)CC4=C(C=C(C=C4)OC)OC)O

DOS

IR

Vibrations