Geometry & MOs

Info

ID:	158683
PubChem CID:	56464702
Reduced:	S2N4O5C20H32 (1)
Stoich.:	A2B4C5D20E32 (1)
Weight, g/mol:	477.168205
ΔH_f, kcal/mol:	-198.19
Dipole, Da:	9.63
IP(EA), eV:	-9.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(2-ethylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NCCS(=O)(=O)CC

DOS

IR

Vibrations