Geometry & MOs

Info

ID:	327285
PubChem CID:	126689403
Reduced:	FSN3O6C22H22 (1)
Stoich.:	ABC3D6E22F22 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	3.5
IP(EA), eV:	-9.44(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylcyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CC3(CC3)CO)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations