Geometry & MOs

Info

ID:	149823
PubChem CID:	53789500
Reduced:	Cl3O4C7H7 (1)
Stoich.:	A3B4C7D7 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-189.13
Dipole, Da:	6.58
IP(EA), eV:	-10.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-5-hexoxypyrrol-2-ol

Drug info:

PubChemData

Smile

CC(=O)OC=C(CC(Cl)(Cl)Cl)C(=O)O

DOS

IR

Vibrations