Geometry & MOs

Info

ID:	48681
PubChem CID:	11110483
Reduced:	NOC10H18 (2)
Stoich.:	ABC10D18 (2)
Weight, g/mol:	336.157928
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	4.03
IP(EA), eV:	-8.34(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-phenylsulfanylcyclopent-3-en-1-ol

Drug info:

PubChemData

Smile

CCC(CC)([C@@H]1CCCN1/N=C/2\CCCC[C@]2([C@@H](C)C=C)O)OC

DOS

IR

Vibrations