Geometry & MOs

Info

ID:

128171

PubChem CID:

51033484

Reduced:

O3N7H19C20 (1)

Stoich.:

A3B7C19D20 (1)

Weight, g/mol:

1417.48155

ΔHf, kcal/mol:

9.54

Dipole, Da:

8.03

IP(EA), eV:

 -9.09(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,5R,8S,11S)-8-[4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]butyl]-11-(5-amino-5-iminopentyl)-5-benzyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;iridium(3+);2-phenylquinoline;chloride

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NCCO)C(=O)NC2=CC3=NC(=CN3C=N2)C4=CC=CC=C4

DOS

IR

Vibrations