Geometry & MOs

Info

ID:	51368
PubChem CID:	12014023
Reduced:	SC11H12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	382.199793
ΔH_f, kcal/mol:	43.7
Dipole, Da:	3.26
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methyl-2-phenylsulfanylheptan-3-one

Drug info:

PubChemData

Smile

C1C2C3CC4C2C5C1C3C(=S)C45

DOS

IR

Vibrations