Geometry & MOs

Info

ID:	63579
PubChem CID:	26758675
Reduced:	FN2O5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	5.14
IP(EA), eV:	-9.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations