Geometry & MOs

Info

ID:	393503
PubChem CID:	135020860
Reduced:	ISN2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	536.05113
ΔH_f, kcal/mol:	70.45
Dipole, Da:	4.01
IP(EA), eV:	-8.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6S,8R,11S)-2-bromo-6-methyl-11-triethylsilyloxy-10,12-dioxatricyclo[6.3.1.01,6]dodec-4-en-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2)I

DOS

IR

Vibrations