Geometry & MOs

Info

ID:	393563
PubChem CID:	135021040
Reduced:	S2N3O3H14C17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	24.35
Dipole, Da:	4.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.189794
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(3-benzyl-2-methyl-6-pyridin-2-ylpyridin-4-yl)-2-diazonio-1-methoxyethenolate

Drug info:

PubChemData

Smile

COC1=C(NC(=CC1=C(C(=O)OC)[N+]#N)C2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations