Geometry & MOs

Info

ID:	397415
PubChem CID:	135030188
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	471.972129
ΔH_f, kcal/mol:	-155.35
Dipole, Da:	0.03
IP(EA), eV:	-9.9(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethyl-4-oxo-7-(trifluoromethylsulfonyloxy)-3H-chromen-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCC1=CC2=C3C4=C1C(=O)N(C(=O)C4=CC(=C3C(=O)N(C2=O)CC)CC)CC

DOS

IR

Vibrations