Geometry & MOs

Info

ID:	125851
PubChem CID:	50941502
Reduced:	NS4O6H15C19 (1)
Stoich.:	AB4C6D15E19 (1)
Weight, g/mol:	520.934306
ΔH_f, kcal/mol:	-167.71
Dipole, Da:	2.23
IP(EA), eV:	-8.41(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[5,7-dioxo-6-(2,2,2-trifluoroethyl)-[1,3]dithiolo[4,5-f]isoindol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC3=C(C=C2C1=O)SC(=C4SC(=C(S4)C(=O)OC)C(=O)OC)S3

DOS

IR

Vibrations