Geometry & MOs

Info

ID:

398375

PubChem CID:

135033017

Reduced:

SN2O5H12C15 (1)

Stoich.:

AB2C5D12E15 (1)

Weight, g/mol:

735.358248

ΔHf, kcal/mol:

-49.45

Dipole, Da:

4.43

IP(EA), eV:

 -9.29(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (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

C1=CC=C(C=C1)NC(=O)/C=C/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations