Geometry & MOs

Info

ID:

313609

PubChem CID:

126616578

Reduced:

ClSN4O4F6H23C30 (1)

Stoich.:

ABC4D4E6F23G30 (1)

Weight, g/mol:

624.08796

ΔHf, kcal/mol:

-348.56

Dipole, Da:

12.46

IP(EA), eV:

 -9.29(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-methyl-1-[8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2CC4=CC=CC=N4)C=C(C=C3)C(C5=CC=C(C=C5)Cl)C6=NC=CS6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations