Geometry & MOs

Info

ID:	193279
PubChem CID:	78369709
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	372.122728
ΔH_f, kcal/mol:	-201.2
Dipole, Da:	3.93
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(5-chloro-2-methylphenyl)-2,4,7,8-tetramethyl-9aH-purino[7,8-a]imidazol-4-ium-1,3-dione

Drug info:

PubChemData

Smile

CCCCC1C(NC(NC1=O)SC2CC(=O)N(C2=O)C3=CC=CC=C3OC)O

DOS

IR

Vibrations