Geometry & MOs

Info

ID:	414020
PubChem CID:	135086973
Reduced:	OSN3C6H7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	222.04407
ΔH_f, kcal/mol:	79.01
Dipole, Da:	6.56
IP(EA), eV:	-8.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-(4-fluorophenyl)-3-methoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C(=C/N=O)/NN

DOS

IR

Vibrations