Geometry & MOs

Info

ID:

188455

PubChem CID:

77719878

Reduced:

FNaN3O5C34H38 (1)

Stoich.:

ABC3D5E34F38 (1)

Weight, g/mol:

609.261494

ΔHf, kcal/mol:

-260.11

Dipole, Da:

10.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.109632

Charge, e:

 0

Chem-info

IUPAC name:

sodium;7-[3-(4-fluorophenyl)-4-phenyl-1-propan-2-yl-5-(2-pyridin-2-ylethylcarbamoyl)pyrrol-2-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=C1C(=O)NCCC2=CC=CC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)CCC(CC(CC(=O)O)O)O.[Na]

DOS

IR

Vibrations