Geometry & MOs

Info

ID:

147230

PubChem CID:

53786884

Reduced:

N2O7C28H34 (1)

Stoich.:

A2B7C28D34 (1)

Weight, g/mol:

545.346486

ΔHf, kcal/mol:

-216.01

Dipole, Da:

5.27

IP(EA), eV:

 -8.59(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-1-[2-[4-aminobutyl(butyl)amino]-2-oxoethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(1,3-dioxolan-2-yl)-2-methylpropyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C(=CC2=CC(=CC(=C2)OC)OC)C(=CC3=CC(=CC(=C3)OC)OC)C(=O)OC

DOS

IR

Vibrations