Geometry & MOs

Info

ID:	407215
PubChem CID:	135079574
Reduced:	NSSiO2C13H21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	402.17446
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	3.97
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophen-2-ylethenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Drug info:

PubChemData

Smile

CC(=CC1=NC=C(S1)C(=O)OCC[Si](C)(C)C)C

DOS

IR

Vibrations