Geometry & MOs

Info

ID:	21851
PubChem CID:	592270
Reduced:	ClSO2N4C9H9 (1)
Stoich.:	ABC2D4E9F9 (1)
Weight, g/mol:	272.013474
ΔH_f, kcal/mol:	-23.76
Dipole, Da:	5.32
IP(EA), eV:	-9.79(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloropropyl 7H-purin-6-ylsulfanylformate

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=NC=N2)SC(=O)OCCCCl

DOS

IR

Vibrations