Geometry & MOs

Info

ID:	71008
PubChem CID:	48414173
Reduced:	SO2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	358.99309
ΔH_f, kcal/mol:	29.01
Dipole, Da:	1.22
IP(EA), eV:	-9.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations