Geometry & MOs

Info

ID:	405476
PubChem CID:	135074142
Reduced:	SF3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-306.24
Dipole, Da:	5.33
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(E)-6-(4-methoxyphenyl)-3-methylhex-3-enyl]-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]3[C@@H]1[C@]4(CC(C(C2)(O4)COS(=O)(=O)C(F)(F)F)(C)C)OC3

DOS

IR

Vibrations