Geometry & MOs

Info

ID:	47316
PubChem CID:	10531483
Reduced:	OSiS2C14H19 (2)
Stoich.:	ABC2D14E19 (2)
Weight, g/mol:	592.04355
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	4.27
IP(EA), eV:	-8.49(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[[4-[2-(6-aminopyridin-2-yl)ethyl]benzoyl]amino]-2-[(4-(125I)iodanylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)C1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3(=O)=O)C4=CC=C(S4)[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations