Geometry & MOs

Info

ID:	150608
PubChem CID:	53790301
Reduced:	NCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	508.89849
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	3.4
IP(EA), eV:	-10.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-(4-hydroxyphenoxy)phenyl]-2-(iodoamino)propanoyl iodide

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=NC(=C1)Cl)Cl

DOS

IR

Vibrations