Geometry & MOs

Info

ID:	9856
PubChem CID:	93969
Reduced:	NCl2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	423.064028
ΔH_f, kcal/mol:	-181.39
Dipole, Da:	7.27
IP(EA), eV:	-9.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations