Geometry & MOs

Info

ID:	438674
PubChem CID:	135228424
Reduced:	BrSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	520.93487
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	2.64
IP(EA), eV:	-10.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-iodo-4-(3-iodo-5-methylphenoxy)-5-methylphenyl]propanal

Drug info:

PubChemData

Smile

CC12CCC(C1(C)CS(=O)(=O)O)C(C3C2O3)Br

DOS

IR

Vibrations