Geometry & MOs

Info

ID:	79696
PubChem CID:	49830012
Reduced:	ClSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	4.65
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(3-methoxyanilino)propyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations