Geometry & MOs

Info

ID:	307361
PubChem CID:	125299682
Reduced:	ClFO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	371.083683
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	1.89
IP(EA), eV:	-9.78(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-benzyl-5-oxopyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=O)N=N2)[C@H](CC(=O)N)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations