Geometry & MOs

Info

ID:	268412
PubChem CID:	103599287
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-2.43
Dipole, Da:	5.67
IP(EA), eV:	-8.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)NCC3=NNC(=S)N3C(C)C

DOS

IR

Vibrations