Geometry & MOs

Info

ID:	435135
PubChem CID:	135181438
Reduced:	O3F4N5C23H23 (1)
Stoich.:	A3B4C5D23E23 (1)
Weight, g/mol:	146.051384
ΔH_f, kcal/mol:	-206.46
Dipole, Da:	4.39
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-2-amino-5,6-dihydro-4H-1,3-thiazin-5-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)C2=NC(=C3C(=C2)C=NC(=N3)N[C@H]4CCCOC4)N5CC(C5)(F)F)F)OC

DOS

IR

Vibrations