Geometry & MOs

Info

ID:	84490
PubChem CID:	49866823
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	354.120229
ΔH_f, kcal/mol:	-117.01
Dipole, Da:	6.77
IP(EA), eV:	-9.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(Z)-[2-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-5-oxoimidazol-4-ylidene]methyl]phenolate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O

DOS

IR

Vibrations