Geometry & MOs

Info

ID:	138206
PubChem CID:	52327825
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	255.982174
ΔH_f, kcal/mol:	35.89
Dipole, Da:	5.54
IP(EA), eV:	-9.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2S)-2-(2-chloropurin-9-id-6-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CC[C@H](N(CC1)C(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=NC=C4

DOS

IR

Vibrations