Geometry & MOs

Info

ID:	57431
PubChem CID:	22395914
Reduced:	SN2Cl4O5H18C20 (1)
Stoich.:	AB2C4D5E18F20 (1)
Weight, g/mol:	437.211018
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	6.89
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(1-carboxy-2-phenylethyl)-octylcarbamoyl]pyrrolidine-1-sulfinate

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3Cl)Cl)CC(C(=O)O)N

DOS

IR

Vibrations