Geometry & MOs

Info

ID:	261234
PubChem CID:	103223905
Reduced:	BrFNSO2C10H13 (1)
Stoich.:	ABCDE2F10G13 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	5.14
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NS(=O)(=O)C(C)C)Br)F

DOS

IR

Vibrations