Geometry & MOs

Info

ID:	415109
PubChem CID:	135088095
Reduced:	SN3O6C18H25 (1)
Stoich.:	AB3C6D18E25 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	-231.0
Dipole, Da:	5.12
IP(EA), eV:	-9.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4-methyl-6-methylsulfanylquinolin-2-yl)amino]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC)C(=O)O

DOS

IR

Vibrations