Geometry & MOs

Info

ID:

447590

PubChem CID:

135284060

Reduced:

S2F3O3N4C23H23 (1)

Stoich.:

A2B3C3D4E23F23 (1)

Weight, g/mol:

557.117845

ΔHf, kcal/mol:

-183.45

Dipole, Da:

5.58

IP(EA), eV:

 -9.23(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(4-fluorophenyl)-4-(2,2,2-trifluoroethyl)piperazin-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=CC=C2)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations