Geometry & MOs

Info

ID:	326710
PubChem CID:	126688067
Reduced:	SN5O5H15C16 (1)
Stoich.:	AB5C5D15E16 (1)
Weight, g/mol:	446.137239
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	3.38
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[6-[[(2-methylbenzoyl)amino]methyl]purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

C1[C@@H](O[C@H]2[C@@]1(C2OS(=O)(=O)N)O)N3C=NC4=C(N=CN=C43)C5=CC=CC=C5

DOS

IR

Vibrations