Geometry & MOs

Info

ID:	84049
PubChem CID:	49863882
Reduced:	FSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	322.115127
ΔH_f, kcal/mol:	2.18
Dipole, Da:	2.43
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluoroethoxy)ethoxy]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclohex-2-en-1-imine

Drug info:

PubChemData

Smile

C1CC(=C/C(=N/OCCOCCF)/C1)C#CC2=CSC=N2

DOS

IR

Vibrations