Geometry & MOs

Info

ID:

414452

PubChem CID:

135087410

Reduced:

ON2C9H11 (2)

Stoich.:

AB2C9D11 (2)

Weight, g/mol:

698.390417

ΔHf, kcal/mol:

-31.48

Dipole, Da:

6.08

IP(EA), eV:

 -8.76(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC4=CC=CC=C4N=C3)C(=O)O

DOS

IR

Vibrations