Geometry & MOs

Info

ID:	432927
PubChem CID:	135173064
Reduced:	SO2N3C6H6 (2)
Stoich.:	AB2C3D6E6 (2)
Weight, g/mol:	401.021223
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	5.32
IP(EA), eV:	-9.18(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(E)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]pyridin-2-yl] sulfamate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC(=O)C(=NN1)SCC(=O)N/N=C/C2=CN=CC=C2

DOS

IR

Vibrations