Geometry & MOs

Info

ID:	343254
PubChem CID:	127266427
Reduced:	FSN2O3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	335.070655
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	5.15
IP(EA), eV:	-9.26(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations