Geometry & MOs

Info

ID:	228596
PubChem CID:	87565383
Reduced:	O2N3F6H9C14 (1)
Stoich.:	A2B3C6D9E14 (1)
Weight, g/mol:	149.05105
ΔH_f, kcal/mol:	-332.85
Dipole, Da:	3.88
IP(EA), eV:	-10.44(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(1-aminoethyl) 2-hydroxypropanethioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=NC(=N2)OCC(F)(F)F)C(=O)N)C(F)(F)F

DOS

IR

Vibrations