Geometry & MOs

Info

ID:	147983
PubChem CID:	53787645
Reduced:	SF3N3O4C22H24 (1)
Stoich.:	AB3C3D4E22F24 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-275.7
Dipole, Da:	3.37
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dimethyl-1-oxacycloundec-5-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)C(F)(F)F)C(=O)OC)SC3=NCCN3)C)C

DOS

IR

Vibrations