Geometry & MOs

Info

ID:	245574
PubChem CID:	99453933
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	3.09
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)C)C3=CC=CC=C3F

DOS

IR

Vibrations