Geometry & MOs

Info

ID:	192003
PubChem CID:	78212954
Reduced:	ClSN4O4C17H19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	364.120526
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	3.99
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-8-(2,3-dihydroxypropylsulfanyl)-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C(=O)OC)SC1=NC2C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

DOS

IR

Vibrations