Geometry & MOs

Info

ID:	447634
PubChem CID:	135284357
Reduced:	NSF2O2C13H15 (2)
Stoich.:	ABC2D2E13F15 (2)
Weight, g/mol:	486.080731
ΔH_f, kcal/mol:	-341.22
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C[C@@H]1OC(F)(F)F)C2=CC=C(C=C2)F)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5CCSCC5

DOS

IR

Vibrations