Geometry & MOs

Info

ID:	142327
PubChem CID:	53017363
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	469.075072
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	4.48
IP(EA), eV:	-9.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C(=NN2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations