Geometry & MOs

Info

ID:	414740
PubChem CID:	135087701
Reduced:	SCl2N2O4C17H24 (1)
Stoich.:	AB2C2D4E17F24 (1)
Weight, g/mol:	351.147744
ΔH_f, kcal/mol:	-159.05
Dipole, Da:	3.5
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations