Geometry & MOs

Info

ID:	140633
PubChem CID:	52733146
Reduced:	F3N3O3C17H22 (1)
Stoich.:	A3B3C3D17E22 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-273.92
Dipole, Da:	5.42
IP(EA), eV:	-9.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(4-fluorophenyl)-3-[[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)[C@@H]1CCCN(C1)C2=C(C=CC=N2)C(F)(F)F

DOS

IR

Vibrations