Geometry & MOs

Info

ID:

423625

PubChem CID:

135119867

Reduced:

O2N3C15H23 (1)

Stoich.:

A2B3C15D23 (1)

Weight, g/mol:

742.380246

ΔHf, kcal/mol:

-69.11

Dipole, Da:

4.42

IP(EA), eV:

 -8.79(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N[C@H]2COC[C@@H]2N3CCCCC3

DOS

IR

Vibrations