Geometry & MOs

Info

ID:

417472

PubChem CID:

135095128

Reduced:

N3O4C22H27 (1)

Stoich.:

A3B4C22D27 (1)

Weight, g/mol:

595.348218

ΔHf, kcal/mol:

-132.21

Dipole, Da:

3.36

IP(EA), eV:

 -9.06(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-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(O1)C)C(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=CC=N4

DOS

IR

Vibrations