Geometry & MOs

Info

ID:

47659

PubChem CID:

10534607

Reduced:

O5C71H109 (2)

Stoich.:

A5B71C109 (2)

Weight, g/mol:

127.063329

ΔHf, kcal/mol:

-602.33

Dipole, Da:

4.64

IP(EA), eV:

 -8.47(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-3-methyl-5-[(2S)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C2[C@H]3C4C([C@@H](C2=C(C5=C1[C@@H]6C7C([C@H]5O6)C(=O)C8=C(C7=O)[C@@H]9CCCCCC[C@H]1C9=C2[C@@H]8CCCCCC[C@H]2C2=C(C=CC(=C12)OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCCCCCCCCCCC)O3)C(=O)C1=C(C4=O)[C@H]2CCCCCC[C@@H]3C2=C2[C@H]1CCCCCC[C@@H]2C1=C(C=CC(=C31)OCCCCCCCCCCCC)OCCCCCCCCCCCC

DOS

IR

Vibrations