Geometry & MOs

Info

ID:	328004
PubChem CID:	126691686
Reduced:	F2N3O5C33H35 (1)
Stoich.:	A2B3C5D33E35 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-241.45
Dipole, Da:	6.18
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-aminoethyl)-4-methyl-3,6-dihydro-2H-1,3-thiazin-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC2=CC(=C(C=C12)C3=C(N=C(C=C3)N4CCC4)CN5[C@H]([C@H](OC5=O)C6=CC(=CC(=C6)F)F)C)OC

DOS

IR

Vibrations