Geometry & MOs

Info

ID:	351648
PubChem CID:	127280715
Reduced:	O2S2N5C16H19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	366.062046
ΔH_f, kcal/mol:	0.88
Dipole, Da:	4.45
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CSC(=N3)C)C

DOS

IR

Vibrations