Geometry & MOs

Info

ID:	67538
PubChem CID:	46506672
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	434.130028
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	5.81
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(3-methoxyanilino)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=CC=C4OC)/S2(=O)=O

DOS

IR

Vibrations