Geometry & MOs

Info

ID:

447616

PubChem CID:

135284265

Reduced:

S2F3O3N6C20H21 (1)

Stoich.:

A2B3C3D6E20F21 (1)

Weight, g/mol:

514.106865

ΔHf, kcal/mol:

-160.68

Dipole, Da:

9.2

IP(EA), eV:

 -9.33(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

C1CN([C@@H](C[C@@H]1C(F)(F)F)C2=CC=NN2)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations