Geometry & MOs

Info

ID:

225754

PubChem CID:

87225887

Reduced:

N2O5C32H36 (1)

Stoich.:

A2B5C32D36 (1)

Weight, g/mol:

601.315186

ΔHf, kcal/mol:

-126.56

Dipole, Da:

5.71

IP(EA), eV:

 -8.82(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-3-[[(E)-2-(naphthalen-1-yloxymethyl)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enyl]amino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations