Geometry & MOs

Info

ID:	162206
PubChem CID:	57393939
Reduced:	BrOS2N6H17C23 (1)
Stoich.:	ABC2D6E17F23 (1)
Weight, g/mol:	280.03025
ΔH_f, kcal/mol:	148.54
Dipole, Da:	8.7
IP(EA), eV:	-8.54(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-fluorophenoxy)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC(=C2)C3=NNN=N3)C)/C=C\4/C(=O)N(C(=S)S4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations