Geometry & MOs

Info

ID:	34277
PubChem CID:	7890609
Reduced:	SN2O6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	323.97973
ΔH_f, kcal/mol:	-244.5
Dipole, Da:	3.9
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluorophenyl)methyl 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations