Geometry & MOs

Info

ID:	326851
PubChem CID:	126688414
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	477.01064
ΔH_f, kcal/mol:	-164.72
Dipole, Da:	4.94
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CO)(C(=O)NCC1=CC=C(C=C1)OC)F

DOS

IR

Vibrations