Geometry & MOs

Info

ID:

381430

PubChem CID:

134972156

Reduced:

N2O6C45H60 (1)

Stoich.:

A2B6C45D60 (1)

Weight, g/mol:

524.397794

ΔHf, kcal/mol:

-262.42

Dipole, Da:

3.7

IP(EA), eV:

 -8.0(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R,6R,10S,11S,22S)-1,5,19,22-tetramethyl-6-(6-methylheptan-2-yl)-16-oxa-15,19-diazahexacyclo[12.10.0.02,11.05,10.015,22.017,21]tetracos-13-ene-18,20-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)CCCC(=O)OC2=C/C(=C/N[C@@H]3CCCC[C@H]3N/C=C\4/C=C(C=C(C4=O)C(C)(C)C)C(C)(C)C)/C(=O)C(=C2)C(C)(C)C

DOS

IR

Vibrations