Geometry & MOs

Info

ID:

415905

PubChem CID:

135088907

Reduced:

N3O3C22H27 (1)

Stoich.:

A3B3C22D27 (1)

Weight, g/mol:

618.327816

ΔHf, kcal/mol:

-68.52

Dipole, Da:

2.57

IP(EA), eV:

 -8.18(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-13-[2-(benzotriazol-2-yl)acetyl]-3-benzyl-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations