Geometry & MOs

Info

ID:	200402
PubChem CID:	79382459
Reduced:	OSN3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	331.138819
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	1.99
IP(EA), eV:	-8.0(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC(=C(S1)CNCCOC)C(C)C

DOS

IR

Vibrations