Geometry & MOs

Info

ID:	47260
PubChem CID:	10530996
Reduced:	Cl2N2O7C27H30 (1)
Stoich.:	A2B2C7D27E30 (1)
Weight, g/mol:	564.13652
ΔH_f, kcal/mol:	-262.79
Dipole, Da:	12.11
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-6-(benzenesulfinyl)-2-[[4-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]methyl]-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCOC(=O)C3=CN(C=CC3)C

DOS

IR

Vibrations