Geometry & MOs

Info

ID:	46213
PubChem CID:	10523228
Reduced:	BrSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	5.62
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations