Geometry & MOs

Info

ID:	36018
PubChem CID:	7980644
Reduced:	FNSO3H20C22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	411.130443
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	1.89
IP(EA), eV:	-8.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethoxyphenoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

DOS

IR

Vibrations