Geometry & MOs

Info

ID:	271877
PubChem CID:	103695340
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	266.095437
ΔH_f, kcal/mol:	16.45
Dipole, Da:	1.31
IP(EA), eV:	-8.61(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(4-acetyl-3-fluorophenoxy)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCSCCCN1C(=O)C2=CC=CC=C2N=N1

DOS

IR

Vibrations