Geometry & MOs

Info

ID:	62440
PubChem CID:	26719722
Reduced:	Cl2N2O2H10C13 (1)
Stoich.:	A2B2C2D10E13 (1)
Weight, g/mol:	305.088578
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	3.53
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl

DOS

IR

Vibrations