Geometry & MOs

Info

ID:	30228
PubChem CID:	840848
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	300.025187
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	1.47
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7H-purin-6-ylsulfanylmethyl)-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CO1)/C=NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations