Geometry & MOs

Info

ID:	14150
PubChem CID:	405194
Reduced:	SO2N6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	356.105545
ΔH_f, kcal/mol:	38.28
Dipole, Da:	3.24
IP(EA), eV:	-8.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylsulfanyl-1,3,5-trimethylpurino[8,9-c][1,2,4]triazole-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NN=C3SCC4=CC=CC=C4

DOS

IR

Vibrations