Geometry & MOs

Info

ID:	141352
PubChem CID:	52865067
Reduced:	SF3N3O3C16H16 (1)
Stoich.:	AB3C3D3E16F16 (1)
Weight, g/mol:	265.102668
ΔH_f, kcal/mol:	-228.1
Dipole, Da:	5.11
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations