Geometry & MOs

Info

ID:	60317
PubChem CID:	26683795
Reduced:	NSO7H17C20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-239.92
Dipole, Da:	3.1
IP(EA), eV:	-9.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-diethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations