Geometry & MOs

Info

ID:	67545
PubChem CID:	46506683
Reduced:	SN2O5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-117.51
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(4-fluoroanilino)methylidene]-1-[(3-methylphenyl)methyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NC4=CC(=C(C=C4)OC)OC)/S2(=O)=O

DOS

IR

Vibrations