Geometry & MOs

Info

ID:	162124
PubChem CID:	57393685
Reduced:	ClSF4N4O4H25C28 (1)
Stoich.:	ABC4D4E4F25G28 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-293.67
Dipole, Da:	6.55
IP(EA), eV:	-9.85(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-aminophenyl)phenoxy]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCN([C@H](C)C1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)Cl)C(=O)CC4=CC(=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations