Geometry & MOs

Info

ID:	178454
PubChem CID:	76331678
Reduced:	O6N8C23H36 (1)
Stoich.:	A6B8C23D36 (1)
Weight, g/mol:	269.092417
ΔH_f, kcal/mol:	-228.76
Dipole, Da:	7.19
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)N

DOS

IR

Vibrations