Geometry & MOs

Info

ID:	326753
PubChem CID:	126688135
Reduced:	O3F4N6H30C32 (1)
Stoich.:	A3B4C6D30E32 (1)
Weight, g/mol:	449.111753
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	8.06
IP(EA), eV:	-9.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-hydroxy-5-[6-[(pyridine-3-carbonylamino)methyl]purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CCOC(=O)/N=C(\C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=CC=C4)NCC5CC5)F)/N

DOS

IR

Vibrations