Geometry & MOs

Info

ID:	338581
PubChem CID:	127259592
Reduced:	SN5O7C17H19 (1)
Stoich.:	AB5C7D17E19 (1)
Weight, g/mol:	445.03998
ΔH_f, kcal/mol:	-224.78
Dipole, Da:	4.51
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

DOS

IR

Vibrations