Geometry & MOs

Info

ID:	361590
PubChem CID:	127303856
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	350.098352
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	4.9
IP(EA), eV:	-8.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC(C1)C2=NN=CN2C3CC3)N4CCCCC4

DOS

IR

Vibrations