Geometry & MOs

Info

ID:

134370

PubChem CID:

51687427

Reduced:

N3O4C25H33 (1)

Stoich.:

A3B4C25D33 (1)

Weight, g/mol:

439.247107

ΔHf, kcal/mol:

-135.58

Dipole, Da:

3.62

IP(EA), eV:

 -8.62(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N-tert-butyl-6-N-(2-methylphenyl)-3-(2-methylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@@]4([C@@H]2C(=O)N([C@@H]4C(=O)NC(C)(C)C)CC(C)C)O3

DOS

IR

Vibrations