Geometry & MOs

Info

ID:

176242

PubChem CID:

76017134

Reduced:

O6C21H25 (2)

Stoich.:

A6B21C25 (2)

Weight, g/mol:

630.246497

ΔHf, kcal/mol:

-448.82

Dipole, Da:

5.84

IP(EA), eV:

 -9.32(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,12,16,25,29,38,41,43,45,46-decaoxanonacyclo[38.2.2.11,14.127,40.02,13.05,10.018,23.028,39.031,36]hexatetraconta-5,7,9,18,20,22,31,33,35-nonaene

Drug info:

PubChemData

Smile

CC1(OCC2(O1)C3C(C(O2)COCC4=CC=C(C=C4)COCC5C6C(C7(O5)COC(O7)(C)C)OCC8=CC=CC=C8CO6)OCC9=CC=CC=C9CO3)C

DOS

IR

Vibrations