Geometry & MOs

Info

ID:	268018
PubChem CID:	103596238
Reduced:	ClON3F4H8C14 (1)
Stoich.:	ABC3D4E8F14 (1)
Weight, g/mol:	653.009
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	4.33
IP(EA), eV:	-9.25(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8S)-11-(4-bromophenyl)-8-(4-methoxyphenyl)-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-4-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C3N2C=C(C=C3Cl)C(F)(F)F)F

DOS

IR

Vibrations