Geometry & MOs

Info

ID:

434961

PubChem CID:

135176067

Reduced:

ClF2S2N3O4C27H30 (1)

Stoich.:

AB2C2D3E4F27G30 (1)

Weight, g/mol:

673.164733

ΔHf, kcal/mol:

-219.14

Dipole, Da:

8.6

IP(EA), eV:

 -9.24(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-[4-(5-chlorothiophen-2-yl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(S5)Cl)(F)F

DOS

IR

Vibrations