Geometry & MOs

Info

ID:	308953
PubChem CID:	126532527
Reduced:	N3O7C15H23 (1)
Stoich.:	A3B7C15D23 (1)
Weight, g/mol:	358.161425
ΔH_f, kcal/mol:	-274.89
Dipole, Da:	4.38
IP(EA), eV:	-10.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-6-ethoxy-2-hydroxy-5-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]-6-oxohex-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)C(CC/C(=C/[N+]#N)/[O-])NC(=O)OCCOC(=O)C(C)C

DOS

IR

Vibrations