Geometry & MOs

Info

ID:	359987
PubChem CID:	127300131
Reduced:	FSN4O4C16H21 (1)
Stoich.:	ABC4D4E16F21 (1)
Weight, g/mol:	339.107519
ΔH_f, kcal/mol:	-177.43
Dipole, Da:	5.36
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CC1)NC2=CC(=C(C=C2)F)N3CCCS3(=O)=O

DOS

IR

Vibrations