Geometry & MOs

Info

ID:	383541
PubChem CID:	134975326
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	398.081378
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	3.24
IP(EA), eV:	-8.82(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-(hydroxymethyl)-5-[6-(3-methyl-1-phosphorosobut-2-en-2-yl)sulfanylpurin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1CCCC(C/C(=C\C(=O)O1)/N(C)C)OC(=O)C

DOS

IR

Vibrations