Geometry & MOs

Info

ID:	158220
PubChem CID:	56463179
Reduced:	BrSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	407.185433
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	3.94
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N(C)CC2=CC=C(O2)Br

DOS

IR

Vibrations