Geometry & MOs

Info

ID:	232417
PubChem CID:	87576150
Reduced:	FN3O4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	383.83917
ΔH_f, kcal/mol:	-166.23
Dipole, Da:	9.08
IP(EA), eV:	-8.99(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-[1,3]dithiolo[4,5-c]dithiin-6-ylidene)-3,4-dihydro-[1,3]dithiolo[4,5-c]dithiine

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N5CCOCC5

DOS

IR

Vibrations