Geometry & MOs

Info

ID:	443573
PubChem CID:	135259365
Reduced:	O2N8C33H38 (1)
Stoich.:	A2B8C33D38 (1)
Weight, g/mol:	582.11616
ΔH_f, kcal/mol:	70.79
Dipole, Da:	7.7
IP(EA), eV:	-8.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(2S)-6-amino-2-[[(2S)-3-phenyl-2-(sulfanylamino)propanoyl]amino]hexanoyl]amino]phenyl]propanoyl iodide

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(NN=C2C=C1)C3CC3)C(=O)[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C

DOS

IR

Vibrations