Geometry & MOs

Info

ID:	405193
PubChem CID:	135072931
Reduced:	BNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	5.82
IP(EA), eV:	-10.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,2-dimethylpropanoylamino)phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

B(C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC)(O)O

DOS

IR

Vibrations