Geometry & MOs

Info

ID:	140409
PubChem CID:	52692650
Reduced:	FSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	345.221641
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	7.11
IP(EA), eV:	-8.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CN(CCCCCC1=CC(=NN1)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

DOS

IR

Vibrations