Geometry & MOs

Info

ID:

190480

PubChem CID:

78010570

Reduced:

FNO2C25H26 (1)

Stoich.:

ABC2D25E26 (1)

Weight, g/mol:

676.35238

ΔHf, kcal/mol:

-93.8

Dipole, Da:

5.18

IP(EA), eV:

 -9.65(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-4-[7-(hydroxymethyl)-1,3-benzodioxol-5-yl]-2-[3-[2-(hydroxymethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2C(CC3CCCCC3C2=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(=O)O1

DOS

IR

Vibrations