Geometry & MOs

Info

ID:	326724
PubChem CID:	126688093
Reduced:	NI2H7C12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	435.081281
ΔH_f, kcal/mol:	87.85
Dipole, Da:	3.4
IP(EA), eV:	-8.48(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[6-[2-(3,5-difluorophenyl)ethynyl]purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2I)C=CC(=C3)I

DOS

IR

Vibrations