Geometry & MOs

Info

ID:	169872
PubChem CID:	75159860
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	275.085424
ΔH_f, kcal/mol:	-181.76
Dipole, Da:	3.5
IP(EA), eV:	-9.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-(4-methyl-3-oxo-8aH-1,4-benzothiazin-4-ium-2-ylidene)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC2=CC=C(C=C2)F)OC(=O)C

DOS

IR

Vibrations