Geometry & MOs

Info

ID:

419484

PubChem CID:

135108267

Reduced:

ON2C9H9 (2)

Stoich.:

AB2C9D9 (2)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

35.87

Dipole, Da:

2.76

IP(EA), eV:

 -9.41(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(5-chloro-6-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

C1[C@H]([C@H](CN1C2=NC(=NO2)C3=CC=CC=C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations