Geometry & MOs

Info

ID:	67558
PubChem CID:	46506714
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	436.125692
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	6.14
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[(4-fluorophenyl)methylamino]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\NCC4=CC=CC=C4)/S2(=O)=O

DOS

IR

Vibrations