Geometry & MOs

Info

ID:	166595
PubChem CID:	74714100
Reduced:	OS2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	333.102137
ΔH_f, kcal/mol:	96.18
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037052
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C=NN2C(=C(N=NC2=S)C)[O-]

DOS

IR

Vibrations