Geometry & MOs

Info

ID:

16731

PubChem CID:

476106

Reduced:

O6N7C20H21 (1)

Stoich.:

A6B7C20D21 (1)

Weight, g/mol:

455.155331

ΔHf, kcal/mol:

-154.37

Dipole, Da:

7.24

IP(EA), eV:

 -9.25(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2S)-2-formamido-3-phenylpropanoyl]amino]-4-hydroxyoxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)O)NC=O

DOS

IR

Vibrations