Geometry & MOs

Info

ID:	124945
PubChem CID:	50904982
Reduced:	FON3C22H32 (1)
Stoich.:	ABC3D22E32 (1)
Weight, g/mol:	403.097521
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	5.49
IP(EA), eV:	-8.27(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7S,8R,10R)-4-(2-benzoyl-4-chlorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations