Geometry & MOs

Info

ID:

180612

PubChem CID:

76660671

Reduced:

FNO6C35H38 (1)

Stoich.:

ABC6D35E38 (1)

Weight, g/mol:

586.260491

ΔHf, kcal/mol:

-258.21

Dipole, Da:

7.77

IP(EA), eV:

 -8.66(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

7-[2-(4-fluorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)CO

DOS

IR

Vibrations