Geometry & MOs

Info

ID:

46926

PubChem CID:

10528423

Reduced:

BrSN5H14C23 (1)

Stoich.:

ABC5D14E23 (1)

Weight, g/mol:

472.243418

ΔHf, kcal/mol:

223.36

Dipole, Da:

9.89

IP(EA), eV:

 -8.27(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-ethyl 3-O-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3S,4S,5S)-5-(6-aminopurin-9-yl)-2-methyl-1,2-oxazolidine-3,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=C3C=C(C=CC3=N/C2=C/4\NN=C5N4N=C(S5)C6=CC=CC=C6)Br

DOS

IR

Vibrations