Geometry & MOs

Info

ID:	407092
PubChem CID:	135079317
Reduced:	NSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	64.06
Dipole, Da:	1.83
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 5-oxocyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C#CSC(=N)C1=CC=CC=C1

DOS

IR

Vibrations