Geometry & MOs

Info

ID:	63382
PubChem CID:	26758214
Reduced:	FSO2N6H21C22 (1)
Stoich.:	ABC2D6E21F22 (1)
Weight, g/mol:	400.082599
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	2.48
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations