Geometry & MOs

Info

ID:	125531
PubChem CID:	50927870
Reduced:	F2O3N5H17C20 (1)
Stoich.:	A2B3C5D17E20 (1)
Weight, g/mol:	365.053335
ΔH_f, kcal/mol:	-76.14
Dipole, Da:	3.73
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-fluoro-4-(4-fluoro-2-methylphenyl)-1,1-dioxo-1lambda6,4-benzothiazine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations