Geometry & MOs

Info

ID:

232831

PubChem CID:

87577159

Reduced:

SN3O4H25C27 (1)

Stoich.:

AB3C4D25E27 (1)

Weight, g/mol:

603.227812

ΔHf, kcal/mol:

-72.89

Dipole, Da:

7.95

IP(EA), eV:

 -8.64(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-2-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoxolan-2-yl]ethenyl]-ethoxyphosphinic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)N=CC5=CSC=C5)NC3=O

DOS

IR

Vibrations