Geometry & MOs

Info

ID:

313672

PubChem CID:

126616943

Reduced:

NO4C18H35 (2)

Stoich.:

AB4C18D35 (2)

Weight, g/mol:

650.059158

ΔHf, kcal/mol:

-439.15

Dipole, Da:

18.37

IP(EA), eV:

 -8.01(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-[2-(4-chlorophenyl)-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

DOS

IR

Vibrations