Geometry & MOs

Info

ID:	143459
PubChem CID:	53212286
Reduced:	NSO3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	329.052193
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	7.45
IP(EA), eV:	-9.08(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3S/C(=C\C(=O)O)/C2=O

DOS

IR

Vibrations