Geometry & MOs

Info

ID:	405576
PubChem CID:	135074482
Reduced:	O5C32H38 (1)
Stoich.:	A5B32C38 (1)
Weight, g/mol:	402.143903
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	4.11
IP(EA), eV:	-8.59(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexyl 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C/C(=C\CC1=C(C=C(C=C1)OCOCC2=CC=CC=C2)OCOCC3=CC=CC=C3)/CC[C@@H]4C(O4)(C)C

DOS

IR

Vibrations