Geometry & MOs

Info

ID:	166594
PubChem CID:	74713726
Reduced:	BrN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	265.021778
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	20.76
IP(EA), eV:	-6.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-4-[(3-methylthiophen-2-yl)methylideneamino]-3-sulfanylidene-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC2=CC(=O)[NH+]3C=C(C=CC3=N2)Br

DOS

IR

Vibrations