Geometry & MOs

Info

ID:	148391
PubChem CID:	53788053
Reduced:	OC10H18 (2)
Stoich.:	AB10C18 (2)
Weight, g/mol:	274.992215
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	1.77
IP(EA), eV:	-8.92(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-1,1,4-trioxo-3H-thieno[3,4-e]thiazine-3-carboxylate

Drug info:

PubChemData

Smile

CCCOC(C(=C)CCC=C(C)CCC=C(C)C)OCCC

DOS

IR

Vibrations