Geometry & MOs

Info

ID:	233517
PubChem CID:	91145203
Reduced:	FS2N5O5C27H30 (1)
Stoich.:	AB2C5D5E27F30 (1)
Weight, g/mol:	258.09258
ΔH_f, kcal/mol:	-179.91
Dipole, Da:	8.47
IP(EA), eV:	-8.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-oxo-2-bicyclo[4.3.1]dec-2-enyl) methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)CC5=C(NC(=S)S5)O)F

DOS

IR

Vibrations