Geometry & MOs

Info

ID:

315346

PubChem CID:

126625672

Reduced:

O2N3C8H12 (2)

Stoich.:

A2B3C8D12 (2)

Weight, g/mol:

378.201553

ΔHf, kcal/mol:

-128.24

Dipole, Da:

9.26

IP(EA), eV:

 -9.2(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-2-(2-hydroxyethyl)pyrrolidin-3-yl] (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O[C@@H]1[C@@H](C(N[C@H]1C2=CNC3=C2N=CN=C3N)CO)O)N

DOS

IR

Vibrations