Geometry & MOs

Info

ID:	386051
PubChem CID:	134980623
Reduced:	SF2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	520.035451
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	6.46
IP(EA), eV:	-10.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1R,2S,6S)-2-acetyloxy-6-methylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten;carbon monoxide

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@]([C@@H]2F)(F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations