Geometry & MOs

Info

ID:	167700
PubChem CID:	74859812
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	335.94672
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	2.69
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-but-2-enylsulfonyl-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=C(C=CC=N1)C(=NO)N

DOS

IR

Vibrations