Geometry & MOs

Info

ID:

447615

PubChem CID:

135284253

Reduced:

FS2N3O3C23H24 (1)

Stoich.:

AB2C3D3E23F24 (1)

Weight, g/mol:

514.106865

ΔHf, kcal/mol:

-84.73

Dipole, Da:

8.2

IP(EA), eV:

 -8.69(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CC=CC=C2)[C@H]3CCOC4=CC(=C(C=C34)F)S(=O)(=O)NC5=NC=CS5

DOS

IR

Vibrations