Geometry & MOs

Info

ID:	371634
PubChem CID:	131269332
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	189.045964
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	1.61
IP(EA), eV:	-8.39(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-oxo-1,4-thiazinan-3-ylidene)acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC2=C1N[C@@H](C2)CO

DOS

IR

Vibrations