Geometry & MOs

Info

ID:	141204
PubChem CID:	52837250
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	361.074181
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	7.25
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpyrazol-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations