Geometry & MOs

Info

ID:	61973
PubChem CID:	26716420
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	362.190223
ΔH_f, kcal/mol:	-172.33
Dipole, Da:	7.45
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-methyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations