Geometry & MOs

Info

ID:

307138

PubChem CID:

125270154

Reduced:

SO8N9C23H35 (1)

Stoich.:

AB8C9D23E35 (1)

Weight, g/mol:

488.201947

ΔHf, kcal/mol:

-328.49

Dipole, Da:

1.57

IP(EA), eV:

 -9.36(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[(2-amino-6-oxo-8H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CC2=NC=NC2)C(=O)N[C@H](CO)C(=O)N[C@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N

DOS

IR

Vibrations