Geometry & MOs

Info

ID:

434648

PubChem CID:

135175403

Reduced:

O4H16C17 (1)

Stoich.:

A4B16C17 (1)

Weight, g/mol:

727.250319

ΔHf, kcal/mol:

-125.55

Dipole, Da:

6.43

IP(EA), eV:

 -9.1(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)C(=O)O

DOS

IR

Vibrations