Geometry & MOs

Info

ID:	371575
PubChem CID:	127347213
Reduced:	SN2O2C10H22 (1)
Stoich.:	AB2C2D10E22 (1)
Weight, g/mol:	276.153289
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	3.78
IP(EA), eV:	-9.47(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1CCCCCN1S(=O)(=O)NCC

DOS

IR

Vibrations