Geometry & MOs

Info

ID:	380921
PubChem CID:	134971520
Reduced:	O3C26H42 (1)
Stoich.:	A3B26C42 (1)
Weight, g/mol:	400.210357
ΔH_f, kcal/mol:	-182.45
Dipole, Da:	2.59
IP(EA), eV:	-9.89(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C[C@@H]1C(=CC[C@H]2[C@]1(CCC3[C@@]2(CCCC3(C)C)C)C)C)C(=O)C

DOS

IR

Vibrations