Geometry & MOs

Info

ID:	398963
PubChem CID:	135036638
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	202.041213
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	6.15
IP(EA), eV:	-9.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-ethoxy-1-oxo-5-sulfanylpent-2-en-3-olate

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@@H]1[C@@H](NC(=O)O1)CC2=CC=CC=C2

DOS

IR

Vibrations