Geometry & MOs

Info

ID:	23154
PubChem CID:	602526
Reduced:	SN5O6C16H19 (1)
Stoich.:	AB5C6D16E19 (1)
Weight, g/mol:	409.105605
ΔH_f, kcal/mol:	-164.37
Dipole, Da:	3.24
IP(EA), eV:	-9.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]-methylsulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)OC)N(C)C(=O)N(C)S(=O)(=O)C2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations