Geometry & MOs

Info

ID:	218546
PubChem CID:	85089601
Reduced:	O3C14H23 (2)
Stoich.:	A3B14C23 (2)
Weight, g/mol:	478.257308
ΔH_f, kcal/mol:	-282.25
Dipole, Da:	5.47
IP(EA), eV:	-9.55(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-(2-methoxyethoxymethoxy)-6-phenylsulfanyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCOC(C)OC1C(=CCCC=C2CCCC(C2OC(C)OCC)(C)C=O)CCCC1(C)C=O

DOS

IR

Vibrations