Geometry & MOs

Info

ID:

315733

PubChem CID:

126628632

Reduced:

O3N5C14H27 (1)

Stoich.:

A3B5C14D27 (1)

Weight, g/mol:

539.347155

ΔHf, kcal/mol:

-141.04

Dipole, Da:

3.56

IP(EA), eV:

 -8.89(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,14S,21E)-2,11,19,19-tetramethyl-14-propan-2-yl-3,9,12,15,28-pentazatricyclo[21.3.1.15,9]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)NC)NC(=O)C(C(C)C)N

DOS

IR

Vibrations