Geometry & MOs

Info

ID:	382309
PubChem CID:	134973379
Reduced:	S3C8F12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	365.050398
ΔH_f, kcal/mol:	-590.52
Dipole, Da:	2.61
IP(EA), eV:	-10.14(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[5-tert-butylimino-2-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithiolan-4-ylidene]-2-cyanoacetate

Drug info:

PubChemData

Smile

C1(=C(C(F)(F)F)C(F)(F)F)SC(=C(C(F)(F)F)C(F)(F)F)SS1

DOS

IR

Vibrations