Geometry & MOs

Info

ID:	349719
PubChem CID:	127275871
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	5.01
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations