Geometry & MOs

Info

ID:

419791

PubChem CID:

135109064

Reduced:

NO6C17H19 (1)

Stoich.:

AB6C17D19 (1)

Weight, g/mol:

615.353303

ΔHf, kcal/mol:

-209.44

Dipole, Da:

10.15

IP(EA), eV:

 -9.61(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations