Geometry & MOs

Info

ID:	369508
PubChem CID:	127334250
Reduced:	FSN2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	4.31
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations