Geometry & MOs

Info

ID:	189552
PubChem CID:	77871573
Reduced:	SN3O6C13H15 (1)
Stoich.:	AB3C6D13E15 (1)
Weight, g/mol:	404.104208
ΔH_f, kcal/mol:	-181.46
Dipole, Da:	4.7
IP(EA), eV:	-10.2(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,1,4-trioxo-3-(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)-1lambda6,2-benzothiazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=O)N=C2C1C(=O)N(N2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations