Geometry & MOs

Info

ID:	352729
PubChem CID:	127283818
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	4.16
IP(EA), eV:	-8.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-phenyltetrazol-5-yl)methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCS(=O)CC3)OC

DOS

IR

Vibrations