Geometry & MOs

Info

ID:	234740
PubChem CID:	92303414
Reduced:	N3O3H15C19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	323.105211
ΔH_f, kcal/mol:	4.65
Dipole, Da:	12.57
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C(/C#N)\C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations