Geometry & MOs

Info

ID:

187163

PubChem CID:

77537678

Reduced:

SO3N4F5H23C27 (1)

Stoich.:

AB3C4D5E23F27 (1)

Weight, g/mol:

615.358469

ΔHf, kcal/mol:

-253.71

Dipole, Da:

6.23

IP(EA), eV:

 -9.58(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CCC(COC(C1=CC=C(C2=CC=CC=C21)C3NC(=O)ON3)C4=C(N=C(S4)C5=CN=C(C=C5)C(F)(F)F)C)(F)F

DOS

IR

Vibrations