Geometry & MOs

Info

ID:	352759
PubChem CID:	127283848
Reduced:	OS2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	345.087116
ΔH_f, kcal/mol:	60.23
Dipole, Da:	5.39
IP(EA), eV:	-8.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations