Geometry & MOs

Info

ID:	54135
PubChem CID:	14720359
Reduced:	OSCl2N2F4H6C14 (1)
Stoich.:	ABC2D2E4F6G14 (1)
Weight, g/mol:	564.391827
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	6.69
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]ethyl-[2-(octylamino)ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC(=S)NC2=CC(=C(C(=C2F)Cl)F)Cl)F

DOS

IR

Vibrations