Geometry & MOs

Info

ID:

185699

PubChem CID:

77335086

Reduced:

O6N9C49H59 (1)

Stoich.:

A6B9C49D59 (1)

Weight, g/mol:

278.15495

ΔHf, kcal/mol:

-141.98

Dipole, Da:

5.56

IP(EA), eV:

 -8.96(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3-diol

Drug info:

PubChemData

Smile

CCC(C)C(C1=NC=C(N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=C(C=C4)C5=CN=C(N5)C6CC7(CC7)CN6C(=O)C(CCC#N)NC(=O)OC)N(CC)C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations