Geometry & MOs

Info

ID:

176302

PubChem CID:

76030275

Reduced:

SN3O8C25H39 (1)

Stoich.:

AB3C8D25E39 (1)

Weight, g/mol:

651.319603

ΔHf, kcal/mol:

-331.28

Dipole, Da:

9.47

IP(EA), eV:

 -8.54(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,12-bis(1,3-benzodioxol-5-ylmethyl)-5-[2-(ethylamino)-2-oxoethyl]-13-pentacyclo[8.4.2.02,9.03,6.011,14]hexadeca-7,15-dienyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CC(COCC3C2CCC(O3)CC(=O)NCCCN4CCOCC4)O

DOS

IR

Vibrations