Geometry & MOs

Info

ID:

416828

PubChem CID:

135090488

Reduced:

O2N4C15H18 (1)

Stoich.:

A2B4C15D18 (1)

Weight, g/mol:

658.347883

ΔHf, kcal/mol:

-4.23

Dipole, Da:

5.04

IP(EA), eV:

 -8.79(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(3,5-dimethyl-1,2-oxazole-4-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

COC1=CN=C(N=C1)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations