Geometry & MOs

Info

ID:	231182
PubChem CID:	87572888
Reduced:	BrN2O2H9C16 (1)
Stoich.:	AB2C2D9E16 (1)
Weight, g/mol:	297.03944
ΔH_f, kcal/mol:	49.22
Dipole, Da:	5.84
IP(EA), eV:	-8.59(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-pyridin-2-yl-1-sulfanylidene-2-(1-sulfidopyridin-2-ylidene)pyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC2=NC(=C(N2C=C1)C3=C4C=CC(=CC4=CO3)Br)C=O

DOS

IR

Vibrations