Geometry & MOs

Info

ID:	449425
PubChem CID:	135298493
Reduced:	PN8O8C25H31 (1)
Stoich.:	AB8C8D25E31 (1)
Weight, g/mol:	255.085521
ΔH_f, kcal/mol:	-271.8
Dipole, Da:	2.12
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-1-diazonio-6-hydroxy-6-oxo-5-(prop-2-enoxycarbonylamino)hex-1-en-2-olate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H](CC/C(=C\[N+]#N)/[O-])NP(=O)(OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O)OC4=CC=CC=C4

DOS

IR

Vibrations