Geometry & MOs

Info

ID:

419062

PubChem CID:

135107411

Reduced:

N2O3C18H18 (1)

Stoich.:

A2B3C18D18 (1)

Weight, g/mol:

644.332233

ΔHf, kcal/mol:

-20.58

Dipole, Da:

4.75

IP(EA), eV:

 -9.18(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC1=C(C1C(=O)NCC2=CC=C(O2)C(=O)NC)C3=CC=CC=C3

DOS

IR

Vibrations