Geometry & MOs

Info

ID:	163139
PubChem CID:	57646549
Reduced:	ClN2S2O6H17C26 (1)
Stoich.:	AB2C2D6E17F26 (1)
Weight, g/mol:	365.04817
ΔH_f, kcal/mol:	-112.17
Dipole, Da:	10.71
IP(EA), eV:	-9.37(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(4-fluorophenyl)methyl]-4-hydroxy-1,1-dioxo-2H-pyrido[3,2-e]thiazine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(S2)N3C(/C(=C(\C4=CC=C(C=C4)O)/O)/C(=O)C3=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations