Geometry & MOs

Info

ID:	73931
PubChem CID:	48421164
Reduced:	FON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	3.64
IP(EA), eV:	-8.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[6-(2-methoxyethoxy)-1,3-benzodioxol-5-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations