Geometry & MOs

Info

ID:	146906
PubChem CID:	53769806
Reduced:	P2O8N10C21H28 (1)
Stoich.:	A2B8C10D21E28 (1)
Weight, g/mol:	209.014664
ΔH_f, kcal/mol:	-272.63
Dipole, Da:	2.03
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-2H-1lambda4,4-benzothiazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[P+](=O)CC1OCC(O1)CN2C=NC3=C(N=CN=C32)N.C1C(OC(O1)CP(=O)(O)[O-])CN2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations