Geometry & MOs

Info

ID:

59588

PubChem CID:

24875345

Reduced:

ClSN2O6C33H39 (2)

Stoich.:

ABC2D6E33F39 (2)

Weight, g/mol:

1202.395963

ΔHf, kcal/mol:

-332.24

Dipole, Da:

15.61

IP(EA), eV:

 -8.69(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

strontium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

C[N+](C)(CCOCC1=CC=C(C=C1)Cl)CC2=CN=C(O2)[C@@](C3CCCCC3)(C4=CC=CC=C4)O.C[N+](C)(CCOCC1=CC=C(C=C1)Cl)CC2=CN=C(O2)[C@@](C3CCCCC3)(C4=CC=CC=C4)O.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations