Geometry & MOs

Info

ID:	12278
PubChem CID:	134096
Reduced:	PSN3O7H14C15 (1)
Stoich.:	ABC3D7E14F15 (1)
Weight, g/mol:	411.029008
ΔH_f, kcal/mol:	-278.67
Dipole, Da:	3.01
IP(EA), eV:	-9.57(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CN1C(=C(C2=CC=CC=C2S1(=O)=O)OP(=O)(O)O)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations