Geometry & MOs

Info

ID:	245569
PubChem CID:	99453905
Reduced:	FSO3N5H22C23 (1)
Stoich.:	ABC3D5E22F23 (1)
Weight, g/mol:	376.133554
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	5.42
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4F

DOS

IR

Vibrations