Geometry & MOs

Info

ID:	194800
PubChem CID:	78591210
Reduced:	FOS2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	5.67
Dipole, Da:	5.39
IP(EA), eV:	-8.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)F)SC2=NN=C(S2)NC3=CC=CC=C3

DOS

IR

Vibrations