Geometry & MOs

Info

ID:

427046

PubChem CID:

135155245

Reduced:

BrSF2N3O4C28H36 (1)

Stoich.:

ABC2D3E4F28G36 (1)

Weight, g/mol:

625.203369

ΔHf, kcal/mol:

-240.85

Dipole, Da:

7.7

IP(EA), eV:

 -9.55(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)N2C3CCC2CC(C3)N)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations