Geometry & MOs

Info

ID:	230344
PubChem CID:	87570689
Reduced:	N2S4C5H6 (1)
Stoich.:	A2B4C5D6 (1)
Weight, g/mol:	237.078979
ΔH_f, kcal/mol:	90.93
Dipole, Da:	3.93
IP(EA), eV:	-8.82(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylidene-3aH-isoindole-1,3-dione

Drug info:

PubChemData

Smile

C=CCSSC1=NNSC1=S

DOS

IR

Vibrations