Geometry & MOs

Info

ID:	188405
PubChem CID:	77712168
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	449.027076
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	4.68
IP(EA), eV:	-8.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]methylidene]-2-(1,3-thiazol-2-yl)-1,4,2-oxathiazinan-3-imine

Drug info:

PubChemData

Smile

CN1C(CCC1=NC2=CC3=C(CC(C3N)O)C=C2)COC

DOS

IR

Vibrations