Geometry & MOs

Info

ID:	394842
PubChem CID:	135023925
Reduced:	OSN3F6C24H25 (1)
Stoich.:	ABC3D6E24F25 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-331.08
Dipole, Da:	4.93
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-3-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-7-yl) acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations