Geometry & MOs

Info

ID:	128321
PubChem CID:	51039243
Reduced:	ClFSN2H4C12 (1)
Stoich.:	ABCD2E4F12 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	103.46
Dipole, Da:	3.36
IP(EA), eV:	-9.54(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethynylphenyl)non-2-ynyl acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C#N)F)C#CC2=CSC(=N2)Cl

DOS

IR

Vibrations