Geometry & MOs

Info

ID:	406625
PubChem CID:	135078185
Reduced:	BrO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	586.314822
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	2.77
IP(EA), eV:	-9.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methylsulfanyl-7-(naphthalen-2-ylmethoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CCCC(=CC1=CC(=CC=C1)Br)C(=O)C2=CCCCO2

DOS

IR

Vibrations