Geometry & MOs

Info

ID:	144492
PubChem CID:	53377473
Reduced:	NF3O4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	383.110376
ΔH_f, kcal/mol:	-281.26
Dipole, Da:	7.24
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-(3-aminopyrrolidine-1-carbonyl)-2-[(2-fluorophenyl)methylidene]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=N[C@@H](CO2)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations