Geometry & MOs

Info

ID:

59418

PubChem CID:

24858130

Reduced:

O9C61H116 (1)

Stoich.:

A9B61C116 (1)

Weight, g/mol:

418.06272

ΔHf, kcal/mol:

-639.3

Dipole, Da:

5.38

IP(EA), eV:

 -10.26(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC)CO

DOS

IR

Vibrations