Geometry & MOs

Info

ID:	380707
PubChem CID:	134971234
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	408.215443
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	5.51
IP(EA), eV:	-9.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(R)-(4-methylphenyl)sulfinyl]-5-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)O[C@H](C=C)C(CO)O

DOS

IR

Vibrations