Geometry & MOs

Info

ID:	159058
PubChem CID:	57260091
Reduced:	FO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	477.081047
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	3.56
IP(EA), eV:	-10.41(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-[2,6-dimethoxy-3-(2-propylsulfonylphenyl)sulfonyl-2H-1,3,5-triazin-4-yl]carbamimidothioate

Drug info:

PubChemData

Smile

C1C(OCC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)CF

DOS

IR

Vibrations