Geometry & MOs

Info

ID:	444636
PubChem CID:	135263087
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-95.88
Dipole, Da:	3.54
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylphenyl]acetate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C3(CC3)C(=O)OC

DOS

IR

Vibrations