Geometry & MOs

Info

ID:	390662
PubChem CID:	135000220
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	370.16787
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	4.29
IP(EA), eV:	-9.1(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromo-5-methylideneundec-3-en-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CC(CC(C)(C)C)C(=O)N1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O

DOS

IR

Vibrations