Geometry & MOs

Info

ID:	255898
PubChem CID:	103135489
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	379.97294
ΔH_f, kcal/mol:	56.34
Dipole, Da:	2.61
IP(EA), eV:	-8.62(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-3-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(C1=CC2=C(CCC2)C=C1)C3=NN(C=C3)C

DOS

IR

Vibrations