Geometry & MOs

Info

ID:	402111
PubChem CID:	135054420
Reduced:	SN2O7C17H22 (1)
Stoich.:	AB2C7D17E22 (1)
Weight, g/mol:	426.235699
ΔH_f, kcal/mol:	-272.19
Dipole, Da:	6.58
IP(EA), eV:	-9.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-chloro-5-hydroxy-2,2-dimethyl-9-phenylnonan-3-one

Drug info:

PubChemData

Smile

CCC(C)N/C(=C(/C(=O)NS(=O)(=O)C1=CC=CC=C1)\C(=O)OC)/C(=O)OC

DOS

IR

Vibrations