Geometry & MOs

Info

ID:	304510
PubChem CID:	124756100
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	-148.99
Dipole, Da:	4.11
IP(EA), eV:	-9.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@@H](CO2)NC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations