Geometry & MOs

Info

ID:	444633
PubChem CID:	135263054
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	2.79
IP(EA), eV:	-10.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxyphenyl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2)C3(CC3)C(=O)O

DOS

IR

Vibrations