Geometry & MOs

Info

ID:

315873

PubChem CID:

126629223

Reduced:

NO2C22H35 (2)

Stoich.:

AB2C22D35 (2)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-208.55

Dipole, Da:

1.43

IP(EA), eV:

 -9.32(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,11S,14S,22E)-19-ethyl-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,19,30,33-hexazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CCCCCCC1C=CC(C(C1C/C=C/CCCCC)CCCCCCCCN2C(=O)C=CC2=O)CCCCCCCCN3C(=O)C=CC3=O

DOS

IR

Vibrations