Geometry & MOs

Info

ID:	349905
PubChem CID:	127276710
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	346.16166
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	4.35
IP(EA), eV:	-9.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-yl-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CC2)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations