Geometry & MOs

Info

ID:	449426
PubChem CID:	135298495
Reduced:	N3O5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	369.117215
ΔH_f, kcal/mol:	-143.94
Dipole, Da:	2.39
IP(EA), eV:	-10.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-6-oxo-6-propan-2-yloxyhex-1-en-2-olate

Drug info:

PubChemData

Smile

C=CCOC(=O)N[C@@H](CC/C(=C\[N+]#N)/[O-])C(=O)O

DOS

IR

Vibrations