Geometry & MOs

Info

ID:

84489

PubChem CID:

49866819

Reduced:

FeN6O13C35H56 (1)

Stoich.:

AB6C13D35E56 (1)

Weight, g/mol:

346.164105

ΔHf, kcal/mol:

-498.99

Dipole, Da:

5.58

IP(EA), eV:

 -7.81(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4Z)-2-[(1S)-1,5-diaminopentyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)C=C(C)CCOC(=O)[C@@H](CCCN(C(=O)C=C(C)CCO)O)NC(=O)C)O)O)CCO.[Fe]

DOS

IR

Vibrations