Geometry & MOs

Info

ID:	219375
PubChem CID:	85148334
Reduced:	NSO5C27H27 (1)
Stoich.:	ABC5D27E27 (1)
Weight, g/mol:	474.96124
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	1.38
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium(3+)

Drug info:

PubChemData

Smile

COC(=O)C1(CC(ON(C1C2=CC=CS2)CC3=CC=CC=C3)C=CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations