Geometry & MOs

Info

ID:	70773
PubChem CID:	48413850
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	290.117904
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	4.31
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations