Geometry & MOs

Info

ID:	67466
PubChem CID:	46506529
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	3.25
IP(EA), eV:	-8.85(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-benzyl-3-[(furan-2-ylmethylamino)methylidene]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)NC(=S)C(=N2)C3=CC=CC=C3

DOS

IR

Vibrations