Geometry & MOs

Info

ID:

434591

PubChem CID:

135175275

Reduced:

ClF2N2O4C28H33 (1)

Stoich.:

AB2C2D4E28F33 (1)

Weight, g/mol:

709.218876

ΔHf, kcal/mol:

-264.08

Dipole, Da:

4.45

IP(EA), eV:

 -9.23(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-[4-(4-chlorophenoxy)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)C2C(=O)C(C(C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)(F)F)N

DOS

IR

Vibrations