Geometry & MOs

Info

ID:	126366
PubChem CID:	50962273
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	241.045588
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	5.91
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[3-(1,2,4-triazol-4-yl)propylsulfanyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C(CC(=O)N3)C4=NC=CN4)C(=O)N2

DOS

IR

Vibrations