Geometry & MOs

Info

ID:	407226
PubChem CID:	135079618
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	251.085424
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	1.11
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-benzylsulfanyl-1-ethoxy-1-hydroxyprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCO/C(=C(/CSCC1=CC=CC=C1)\[N+]#N)/[O-]

DOS

IR

Vibrations