Geometry & MOs

Info

ID:	278335
PubChem CID:	103834914
Reduced:	ClN2S2O3C10H15 (1)
Stoich.:	AB2C2D3E10F15 (1)
Weight, g/mol:	340.112664
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	4.56
IP(EA), eV:	-8.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1S(=O)(=O)NCCSCCCO)Cl

DOS

IR

Vibrations