Geometry & MOs

Info

ID:

411748

PubChem CID:

135084582

Reduced:

AuClPO4C37H51 (2)

Stoich.:

ABCD4E37F51 (2)

Weight, g/mol:

504.277678

ΔHf, kcal/mol:

-294.61

Dipole, Da:

30.55

IP(EA), eV:

 -6.6(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-(2-methylpropyl)-2-[1-[2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[PH+](C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)[PH+](C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C.Cl[Au].Cl[Au]

DOS

IR

Vibrations