Geometry & MOs

Info

ID:

434976

PubChem CID:

135176106

Reduced:

ClSF2N3O4C34H34 (1)

Stoich.:

ABC2D3E4F34G34 (1)

Weight, g/mol:

653.192662

ΔHf, kcal/mol:

-197.83

Dipole, Da:

9.89

IP(EA), eV:

 -9.22(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxo-3-piperazin-1-ylpropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CC[C@@H](C4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations