Geometry & MOs

Info

ID:	167622
PubChem CID:	74848877
Reduced:	FSO2N4H25C27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	502.183875
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	8.98
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[4-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=C(C#N)C(=O)N3CCN(CC3)C(=O)C4CC4)N2C5=CC=C(C=C5)F

DOS

IR

Vibrations