Geometry & MOs

Info

ID:	32528
PubChem CID:	7842142
Reduced:	ClN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	7.79
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations