Geometry & MOs

Info

ID:

176303

PubChem CID:

76031813

Reduced:

NO7C40H45 (1)

Stoich.:

AB7C40D45 (1)

Weight, g/mol:

650.335587

ΔHf, kcal/mol:

-145.83

Dipole, Da:

5.25

IP(EA), eV:

 -8.51(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)CC1C2C=CC3C4C=CC(C3C2C1CC5=CC6=C(C=C5)OCO6)C7C4C(C7CCCC(=O)O)CC8=CC9=C(C=C8)OCO9

DOS

IR

Vibrations