Geometry & MOs

Info

ID:	372888
PubChem CID:	131306576
Reduced:	BrN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	230.0146
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	6.23
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloro-2-oxopropyl)-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)[C@](C(=O)N2)(C(=O)O)N

DOS

IR

Vibrations