Geometry & MOs

Info

ID:

427029

PubChem CID:

135155130

Reduced:

BrSN3F5O6C29H29 (1)

Stoich.:

ABC3D5E6F29G29 (1)

Weight, g/mol:

609.11085

ΔHf, kcal/mol:

-407.54

Dipole, Da:

13.38

IP(EA), eV:

 -9.47(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N([C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)Br)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations