Geometry & MOs

Info

ID:	409412
PubChem CID:	135082193
Reduced:	NSF2O6C16H29 (1)
Stoich.:	ABC2D6E16F29 (1)
Weight, g/mol:	283.108068
ΔH_f, kcal/mol:	-367.16
Dipole, Da:	4.61
IP(EA), eV:	-9.02(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(1S,3S,4R)-2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCN(CC)S(O[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C)(F)F

DOS

IR

Vibrations