Geometry & MOs

Info

ID:	182202
PubChem CID:	76857686
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	495.284555
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	3.43
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-4,5-dihydropurin-1-yl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

Drug info:

PubChemData

Smile

CCCCCN1C2NN=C(N2C3CCCCC3C1=O)SCC4=COC(=N4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations