Geometry & MOs

Info

ID:	51580
PubChem CID:	12014273
Reduced:	ClRhP2O8C48H48 (1)
Stoich.:	ABC2D8E48F48 (1)
Weight, g/mol:	206.043522
ΔH_f, kcal/mol:	55.07
Dipole, Da:	24.23
IP(EA), eV:	-8.68(-3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-2-ethyl-1-oxo-1,3-dithian-2-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1CC[CH-]/C=C\CC1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3[C-]=O.[O-]Cl(=O)(=O)=O.[Rh+3]

DOS

IR

Vibrations