Geometry & MOs

Info

ID:

417716

PubChem CID:

135102541

Reduced:

N3O4C18H19 (1)

Stoich.:

A3B4C18D19 (1)

Weight, g/mol:

658.347883

ΔHf, kcal/mol:

-53.51

Dipole, Da:

4.48

IP(EA), eV:

 -8.58(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(5-ethyl-1,3-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

CCC1=NC(=NO1)CNC(=O)C2=C(OC=C2)COC3=CC=C(C=C3)C

DOS

IR

Vibrations