Geometry & MOs

Info

ID:	165886
PubChem CID:	74609263
Reduced:	ClSN5O5C20H22 (1)
Stoich.:	ABC5D5E20F22 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	7.15
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-(2-methylpropylamino)-7-(3-phenoxypropyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC1N2CC(C(=O)N(C2=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C#N

DOS

IR

Vibrations