Geometry & MOs

Info

ID:	311105
PubChem CID:	126589432
Reduced:	FNOSC19H22 (1)
Stoich.:	ABCDE19F22 (1)
Weight, g/mol:	439.04668
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	4.59
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-iodophenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)NC(=S)CC)C

DOS

IR

Vibrations