Geometry & MOs

Info

ID:	387577
PubChem CID:	134985964
Reduced:	NSH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	247.062677
ΔH_f, kcal/mol:	106.07
Dipole, Da:	4.87
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R)-2-diazonio-1-methoxy-5-[[(S)-methylsulfinyl]amino]-1-oxohex-2-en-3-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=S)SC3N2C=CC=C3

DOS

IR

Vibrations