Geometry & MOs

Info

ID:	63356
PubChem CID:	26758138
Reduced:	SF2N2O5H16C20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	400.082599
ΔH_f, kcal/mol:	-247.4
Dipole, Da:	8.94
IP(EA), eV:	-9.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations