Geometry & MOs

Info

ID:	208177
PubChem CID:	80502289
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	241.111422
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	0.56
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yloxyethyl 2-amino-3-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)N)C(=O)OCCC2=CC=CS2

DOS

IR

Vibrations