Geometry & MOs

Info

ID:	192937
PubChem CID:	78326411
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	385.119518
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	6.31
IP(EA), eV:	-9.15(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-benzyl-1,3-dimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylsulfanyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)COC(=O)C=CC4=CC=CO4)S2

DOS

IR

Vibrations