Geometry & MOs

Info

ID:

416404

PubChem CID:

135089417

Reduced:

N2O3C23H26 (1)

Stoich.:

A2B3C23D26 (1)

Weight, g/mol:

553.32642

ΔHf, kcal/mol:

-82.2

Dipole, Da:

3.26

IP(EA), eV:

 -9.42(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-(cyclopent-3-ene-1-carbonyl)-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CC2)C(=O)N[C@@H]3CCN(C[C@H]3O)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations