Geometry & MOs

Info

ID:	133143
PubChem CID:	51484178
Reduced:	NO3H12C14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	471.143035
ΔH_f, kcal/mol:	-176.8
Dipole, Da:	4.84
IP(EA), eV:	-8.65(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-anilino-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