Geometry & MOs

Info

ID:	326749
PubChem CID:	126688130
Reduced:	SN5O6H17C18 (1)
Stoich.:	AB5C6D17E18 (1)
Weight, g/mol:	463.143802
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	3.41
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1H-inden-1-ylamino)-9-[(2R,3S,4R)-3-fluoro-4-hydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@]5([C@@H](C5OS(=O)(=O)N)O4)O)O

DOS

IR

Vibrations