Geometry & MOs

Info

ID:	444868
PubChem CID:	135263783
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	205.053942
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.51
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanethiol;propane-1,2,3-triol;hydrochloride

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)C2=CC3=C(C=C2)C(=O)N(CC3)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations