Geometry & MOs

Info

ID:	388591
PubChem CID:	134989566
Reduced:	ClS2O4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	220.063663
ΔH_f, kcal/mol:	58.61
Dipole, Da:	10.1
IP(EA), eV:	-9.56(-3.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-oxatetracyclo[6.2.2.12,7.02,7]trideca-3,5,9,11-tetraene-9,10-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C=CS(=C2)OCl(=O)(=O)=O

DOS

IR

Vibrations