Geometry & MOs

Info

ID:	76427
PubChem CID:	48424909
Reduced:	SO2F3N3C18H28 (1)
Stoich.:	AB2C3D3E18F28 (1)
Weight, g/mol:	393.169783
ΔH_f, kcal/mol:	-243.96
Dipole, Da:	1.48
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(S1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations