Geometry & MOs

Info

ID:	393562
PubChem CID:	135021039
Reduced:	S2N3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	372.047659
ΔH_f, kcal/mol:	26.78
Dipole, Da:	3.2
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxy-1-(3-methoxy-2,6-dithiophen-2-yl-1H-pyridin-4-ylidene)-2-oxoethanediazonium

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1/C(=C(\[O-])/OC)/[N+]#N)C2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations