Geometry & MOs

Info

ID:	12286
PubChem CID:	134177
Reduced:	N3I4O7H15C20 (1)
Stoich.:	A3B4C7D15E20 (1)
Weight, g/mol:	916.7089
ΔH_f, kcal/mol:	-123.76
Dipole, Da:	6.74
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=[N+]=[N-])C(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O

DOS

IR

Vibrations