Geometry & MOs

Info

ID:	24420
PubChem CID:	610046
Reduced:	SO2N5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	279.078996
ΔH_f, kcal/mol:	-17.0
Dipole, Da:	3.38
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S

DOS

IR

Vibrations