Geometry & MOs

Info

ID:	283692
PubChem CID:	103998800
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	2.98
IP(EA), eV:	-9.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1)C=C(C=C2)C(=O)NCCCS(=O)(=O)N

DOS

IR

Vibrations