Geometry & MOs

Info

ID:	448462
PubChem CID:	135291093
Reduced:	F2N2S2O5C14H14 (1)
Stoich.:	A2B2C2D5E14F14 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-242.77
Dipole, Da:	5.78
IP(EA), eV:	-9.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-(2-sulfanylethylcarbamoylamino)hexanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)O)F

DOS

IR

Vibrations