Geometry & MOs

Info

ID:

434776

PubChem CID:

135175695

Reduced:

SF2N3O4C40H51 (1)

Stoich.:

AB2C3D4E40F51 (1)

Weight, g/mol:

685.19889

ΔHf, kcal/mol:

-218.35

Dipole, Da:

10.52

IP(EA), eV:

 -8.51(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-amino-3-fluoropiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN([C@@H](C(=O)C1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)OCCN4CCCCC4)(F)F)S(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations