Geometry & MOs

Info

ID:	125850
PubChem CID:	50941501
Reduced:	NS2F3O3H6C16 (1)
Stoich.:	AB2C3D3E6F16 (1)
Weight, g/mol:	480.978222
ΔH_f, kcal/mol:	-204.09
Dipole, Da:	4.52
IP(EA), eV:	-9.8(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)N2C(=O)C3=CC4=C(C=C3C2=O)SC(=O)S4

DOS

IR

Vibrations