Geometry & MOs

Info

ID:	83916
PubChem CID:	49862465
Reduced:	SO2N5H11C16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	254.085541
ΔH_f, kcal/mol:	79.61
Dipole, Da:	6.91
IP(EA), eV:	-9.47(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-5-fluoro-N-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C2=NN3C(=NN=C3S2)C4=CC=NC=C4

DOS

IR

Vibrations