Geometry & MOs

Info

ID:	403530
PubChem CID:	135060745
Reduced:	BSiO5C27H35 (1)
Stoich.:	ABC5D27E35 (1)
Weight, g/mol:	466.234681
ΔH_f, kcal/mol:	-289.3
Dipole, Da:	4.91
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(\C(=O)OCC)/[Si](C)(C)C2=CC=CC=C2)/C3=CC(=CC=C3)C(=O)C

DOS

IR

Vibrations