Geometry & MOs

Info

ID:	381710
PubChem CID:	134972521
Reduced:	NSO3H19C23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	4.54
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations