Geometry & MOs

Info

ID:

144579

PubChem CID:

53386793

Reduced:

NSiO3C18H27 (1)

Stoich.:

ABC3D18E27 (1)

Weight, g/mol:

571.217932

ΔHf, kcal/mol:

-166.58

Dipole, Da:

3.71

IP(EA), eV:

 -8.94(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(3R,6S,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations