Geometry & MOs

Info

ID:

420204

PubChem CID:

135111816

Reduced:

O4N7C36H51 (1)

Stoich.:

A4B7C36D51 (1)

Weight, g/mol:

759.341418

ΔHf, kcal/mol:

-160.46

Dipole, Da:

8.65

IP(EA), eV:

 -8.56(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-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]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)CC(C)C)C(=O)N[C@@H]2C[C@H]3C(=O)N[C@@H](CC[C@H](CC(=O)N[C@@H](C(=O)N3C2)CC4=CNC5=CC=CC=C54)C)C(C)C

DOS

IR

Vibrations