Geometry & MOs

Info

ID:	125532
PubChem CID:	50927957
Reduced:	NSF2O4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	376.089306
ΔH_f, kcal/mol:	-199.19
Dipole, Da:	8.83
IP(EA), eV:	-9.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(dimethylamino)phenyl]-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)F)C(=O)OC

DOS

IR

Vibrations