Geometry & MOs

Info

ID:	133141
PubChem CID:	51484176
Reduced:	SN3O5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	484.163436
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	3.17
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)[C@H](C)NC(=O)C2=CC=CO2

DOS

IR

Vibrations