Geometry & MOs

Info

ID:	54046
PubChem CID:	14719743
Reduced:	ClSN5O6C14H14 (1)
Stoich.:	ABC5D6E14F14 (1)
Weight, g/mol:	412.080118
ΔH_f, kcal/mol:	-186.74
Dipole, Da:	8.18
IP(EA), eV:	-10.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyridin-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC

DOS

IR

Vibrations