Geometry & MOs

Info

ID:	142328
PubChem CID:	53017717
Reduced:	ClNSO5H20C24 (1)
Stoich.:	ABCD5E20F24 (1)
Weight, g/mol:	479.156658
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	6.65
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C(C(=C(C2=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations