Geometry & MOs

Info

ID:

447620

PubChem CID:

135284280

Reduced:

NOSF5H26C28 (1)

Stoich.:

ABCD5E26F28 (1)

Weight, g/mol:

539.127266

ΔHf, kcal/mol:

-227.87

Dipole, Da:

4.78

IP(EA), eV:

 -8.44(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[(2R)-4-(2,2-difluoroethyl)-2-(4-fluorophenyl)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=C(C=C2)F)C3CCOC4=CC(=C(C=C34)F)SCC5=CC=CC=C5

DOS

IR

Vibrations