Geometry & MOs

Info

ID:	412719
PubChem CID:	135085633
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	245.072179
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	1.95
IP(EA), eV:	-9.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-5-ethyl-1-oxo-2,3-dihydro-1,4-thiazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](O[C@H]1C(=C)C)C2=CC=CC=C2

DOS

IR

Vibrations