Geometry & MOs

Info

ID:	34421
PubChem CID:	7970003
Reduced:	FSN2O2C17H23 (1)
Stoich.:	ABC2D2E17F23 (1)
Weight, g/mol:	403.174336
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	4.27
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NNC(=O)CSC2=CC=CC=C2F

DOS

IR

Vibrations