Geometry & MOs

Info

ID:	133142
PubChem CID:	51484177
Reduced:	NO3H12C14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	484.163436
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	7.26
IP(EA), eV:	-8.57(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C)C

DOS

IR

Vibrations