Geometry & MOs

Info

ID:	144744
PubChem CID:	53405819
Reduced:	SO3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	374.06889
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	5.18
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-phenylmethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C=C(C3=CC=CS3)C(=O)O

DOS

IR

Vibrations