Geometry & MOs

Info

ID:	308951
PubChem CID:	126532506
Reduced:	FOSN6H15C23 (1)
Stoich.:	ABCD6E15F23 (1)
Weight, g/mol:	358.161425
ΔH_f, kcal/mol:	143.38
Dipole, Da:	7.1
IP(EA), eV:	-8.61(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(S6)F

DOS

IR

Vibrations