Geometry & MOs

Info

ID:	263877
PubChem CID:	103404140
Reduced:	ClFNSO2H11C15 (1)
Stoich.:	ABCDE2F11G15 (1)
Weight, g/mol:	298.158769
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	7.35
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-[3-(2-methoxyethoxy)propoxymethyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)NC2=CC(=C(C=C2)C#CCO)F

DOS

IR

Vibrations