Geometry & MOs

Info

ID:	419556
PubChem CID:	135108413
Reduced:	NSF3O5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-372.91
Dipole, Da:	3.12
IP(EA), eV:	-9.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(4aS,8aS)-4a-(hydroxymethyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-7-yl]ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OC[C@@H]1O)O

DOS

IR

Vibrations