Geometry & MOs

Info

ID:	296529
PubChem CID:	117581856
Reduced:	BrSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	260.083078
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	2.74
IP(EA), eV:	-9.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylsulfonylmethyl)-3-(1H-pyrrol-2-ylmethylamino)propanoic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1Br)S(=O)(=O)N2CC2

DOS

IR

Vibrations