Geometry & MOs

Info

ID:	343335
PubChem CID:	127266508
Reduced:	SF3N3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	3.05
IP(EA), eV:	-9.08(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C=CC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations