Geometry & MOs

Info

ID:	385213
PubChem CID:	134978535
Reduced:	PS2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	430.253936
ΔH_f, kcal/mol:	-205.83
Dipole, Da:	3.2
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-propanoylcyclohex-2-en-1-yl]ethyl benzoate

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)SCC(=O)C1=C(C=CC(=C1)C)C

DOS

IR

Vibrations