Geometry & MOs

Info

ID:	192247
PubChem CID:	78248786
Reduced:	SO2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	335.072449
ΔH_f, kcal/mol:	64.38
Dipole, Da:	5.84
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(4-fluorophenyl)-1,2,4a,5,6,7,8,8a-octahydrochromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC4=NN=C(N4N3)C(CC5=CC=CC=C5)N

DOS

IR

Vibrations