Geometry & MOs

Info

ID:	176268
PubChem CID:	76021508
Reduced:	FeN4O10H30C34 (1)
Stoich.:	AB4C10D30E34 (1)
Weight, g/mol:	341.202465
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	11.59
IP(EA), eV:	-7.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(C(=N5)C=C1N2)(C)CC(=O)O)[O-])C(C4=O)(C)CC(=O)O)C(=C3CCC(=O)O)C)C=CC(=O)[O-].[Fe]

DOS

IR

Vibrations