Geometry & MOs

Info

ID:

414767

PubChem CID:

135087729

Reduced:

O2N8C19H22 (1)

Stoich.:

A2B8C19D22 (1)

Weight, g/mol:

662.342798

ΔHf, kcal/mol:

47.62

Dipole, Da:

9.58

IP(EA), eV:

 -9.4(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=NN=N4

DOS

IR

Vibrations