Geometry & MOs

Info

ID:

52305

PubChem CID:

12015131

Reduced:

OS2C8H16 (1)

Stoich.:

AB2C8D16 (1)

Weight, g/mol:

1785.632224

ΔHf, kcal/mol:

-47.89

Dipole, Da:

5.35

IP(EA), eV:

 -8.19(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[[[(1R,2R)-2-[[(E)-[3-oxo-4-(2-phenylnaphthalen-1-yl)naphthalen-2-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one;titanium;dihydrate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1SCCC[S@@]1=O

DOS

IR

Vibrations