Geometry & MOs

Info

ID:	438689
PubChem CID:	135228440
Reduced:	NOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	454.06411
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	3.6
IP(EA), eV:	-9.3(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-(3-ethyl-4-hydroxy-5-iodophenoxy)-3,5-dimethylphenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCC(C)C2=CC=CC=C2)(C)C

DOS

IR

Vibrations