Geometry & MOs

Info

ID:	387578
PubChem CID:	134985970
Reduced:	SN3O4C8H13 (1)
Stoich.:	AB3C4D8E13 (1)
Weight, g/mol:	248.070502
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	5.52
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E,5R)-3-hydroxy-1-methoxy-5-[[(S)-methylsulfinyl]amino]-1-oxohex-2-ene-2-diazonium

Drug info:

PubChemData

Smile

C[C@H](C/C(=C(/C(=O)OC)\[N+]#N)/[O-])N[S@@](=O)C

DOS

IR

Vibrations