Geometry & MOs

Info

ID:

419843

PubChem CID:

135109327

Reduced:

N4O4C21H27 (2)

Stoich.:

A4B4C21D27 (2)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-255.35

Dipole, Da:

7.59

IP(EA), eV:

 -8.34(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NOC(=C5)C)C(C)C

DOS

IR

Vibrations