Geometry & MOs

Info

ID:	189614
PubChem CID:	77881773
Reduced:	SSnN2O2Cl3C9H14 (1)
Stoich.:	ABC2D2E3F9G14 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.774374
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-carboxypropyl)pyridine-2-carboxylic acid;azane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCSC(=[NH2+])N.[OH-].O(Cl)[Sn](Cl)Cl

DOS

IR

Vibrations