Geometry & MOs

Info

ID:	46588
PubChem CID:	10525404
Reduced:	SN2O6C18H34 (1)
Stoich.:	AB2C6D18E34 (1)
Weight, g/mol:	406.182733
ΔH_f, kcal/mol:	-298.79
Dipole, Da:	1.71
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenoxy)methyl]-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCOC([C@H]1[C@@H](COC(O1)(C)C)N=C(NC(=O)OC(C)(C)C)SC)OCC

DOS

IR

Vibrations