Geometry & MOs

Info

ID:	182226
PubChem CID:	76861686
Reduced:	S2O3N4C22H30 (1)
Stoich.:	A2B3C4D22E30 (1)
Weight, g/mol:	354.155272
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	6.36
IP(EA), eV:	-8.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[1-(1-phenyltetrazol-5-yl)ethyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C(C(C)C)NC1=NS(=O)(=O)C2=CC=CC=C21)C3=CSC=C3

DOS

IR

Vibrations