Geometry & MOs

Info

ID:	346535
PubChem CID:	127271039
Reduced:	FO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	398.121275
ΔH_f, kcal/mol:	7.99
Dipole, Da:	7.29
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F)C5CC5

DOS

IR

Vibrations