Geometry & MOs

Info

ID:	310331
PubChem CID:	126578916
Reduced:	SF3H5O5C13 (1)
Stoich.:	AB3C5D5E13 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-288.65
Dipole, Da:	3.12
IP(EA), eV:	-10.66(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

C1=CC(=CC2=CC3=C(C=C21)C(=O)OC3=O)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations