Geometry & MOs

Info

ID:

398502

PubChem CID:

135033523

Reduced:

N3O5C13H13 (1)

Stoich.:

A3B5C13D13 (1)

Weight, g/mol:

735.358248

ΔHf, kcal/mol:

-110.44

Dipole, Da:

5.67

IP(EA), eV:

 -10.51(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations