Geometry & MOs

Info

ID:	29531
PubChem CID:	834857
Reduced:	ClFN2O3H10C16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	4.95
IP(EA), eV:	-9.15(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)butanamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C=CC=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations