Geometry & MOs

Info

ID:	34484
PubChem CID:	7978529
Reduced:	ClN3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	415.086575
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	3.32
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC=CN2)Cl

DOS

IR

Vibrations