Geometry & MOs

Info

ID:	37720
PubChem CID:	8023630
Reduced:	SN2O2C24H24 (1)
Stoich.:	AB2C2D24E24 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	0.87
Dipole, Da:	5.74
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations