Geometry & MOs

Info

ID:	349743
PubChem CID:	127275905
Reduced:	F3O3N4C17H23 (1)
Stoich.:	A3B3C4D17E23 (1)
Weight, g/mol:	373.132094
ΔH_f, kcal/mol:	-257.91
Dipole, Da:	3.59
IP(EA), eV:	-9.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3CCC(NC3=O)C(F)(F)F

DOS

IR

Vibrations