Geometry & MOs

Info

ID:

322284

PubChem CID:

126669591

Reduced:

N3O4C20H27 (1)

Stoich.:

A3B4C20D27 (1)

Weight, g/mol:

548.226244

ΔHf, kcal/mol:

-149.84

Dipole, Da:

4.36

IP(EA), eV:

 -9.21(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-4-[[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[2-[2-(4-chlorophenyl)ethylamino]ethyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COCC(=O)N1CC2C[C@H]3[C@@H](C1[C@@H](C2)C3NCC4=CC(=CC=C4)C(=O)N)O

DOS

IR

Vibrations