Geometry & MOs

Info

ID:	447592
PubChem CID:	135284080
Reduced:	S2O3F4N4H22C23 (1)
Stoich.:	A2B3C4D4E22F23 (1)
Weight, g/mol:	440.090073
ΔH_f, kcal/mol:	-238.35
Dipole, Da:	5.82
IP(EA), eV:	-9.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-4-[[2-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations