Geometry & MOs

Info

ID:

427018

PubChem CID:

135155097

Reduced:

BrSF2N3O4C29H32 (1)

Stoich.:

ABC2D3E4F29G32 (1)

Weight, g/mol:

763.13501

ΔHf, kcal/mol:

-218.42

Dipole, Da:

10.04

IP(EA), eV:

 -9.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(aminomethyl)piperidin-1-yl]-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCCC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations