Geometry & MOs

Info

ID:	232931
PubChem CID:	87577735
Reduced:	ClSN4O6C25H29 (1)
Stoich.:	ABC4D6E25F29 (1)
Weight, g/mol:	269.980979
ΔH_f, kcal/mol:	-241.1
Dipole, Da:	1.79
IP(EA), eV:	-8.83(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoromethylsulfonyl 6-oxocyclohexa-1,3-diene-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC\3=C(C=C2)NC(=O)/C3=C/C4=C(C5=C(N4)CCCC5=O)CCC(=O)O.Cl

DOS

IR

Vibrations