Geometry & MOs

Info

ID:	226293
PubChem CID:	87350379
Reduced:	SSnO2C34H70 (1)
Stoich.:	ABC2D34E70 (1)
Weight, g/mol:	550.252645
ΔH_f, kcal/mol:	-231.51
Dipole, Da:	4.9
IP(EA), eV:	-8.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-10-oxodecoxy]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)C(C(=O)O)SCC(CC)CCCC

DOS

IR

Vibrations