Geometry & MOs

Info

ID:

422046

PubChem CID:

135117080

Reduced:

N5O6C35H47 (1)

Stoich.:

A5B6C35D47 (1)

Weight, g/mol:

643.348218

ΔHf, kcal/mol:

-232.15

Dipole, Da:

5.63

IP(EA), eV:

 -9.5(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-(2-pyrazol-1-ylacetyl)-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)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4(COC4)C

DOS

IR

Vibrations