Geometry & MOs

Info

ID:

447633

PubChem CID:

135284356

Reduced:

NSF2O2C13H15 (2)

Stoich.:

ABC2D2E13F15 (2)

Weight, g/mol:

574.158312

ΔHf, kcal/mol:

-348.44

Dipole, Da:

5.43

IP(EA), eV:

 -8.62(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(thian-4-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CCSC(C1)NS(=O)(=O)C2=CC3=C(C=C2)[C@@H](CCO3)N4CC[C@H](C[C@H]4C5=CC=C(C=C5)F)OC(F)(F)F

DOS

IR

Vibrations