Geometry & MOs

Info

ID:	43455
PubChem CID:	10321323
Reduced:	ClON7C22H32 (1)
Stoich.:	ABC7D22E32 (1)
Weight, g/mol:	446.035891
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	2.07
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(2+);(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations