Geometry & MOs

Info

ID:	145170
PubChem CID:	53473643
Reduced:	BO3C29H33 (1)
Stoich.:	AB3C29D33 (1)
Weight, g/mol:	398.172311
ΔH_f, kcal/mol:	-166.07
Dipole, Da:	2.74
IP(EA), eV:	-8.65(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-thiophen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3CCCCC3=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations