Geometry & MOs

Info

ID:	145301
PubChem CID:	53495263
Reduced:	ClN4O4H21C24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	465.132958
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	4.12
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,5R)-5-(4-chlorophenyl)-1-hydroxy-7-(1-methylimidazol-2-yl)-3,7-dioxo-1-phenylmethoxyhept-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)C[C@@H](CC(=O)/C(=C(\[O-])/OCC2=CC=CC=C2)/[N+]#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations