Geometry & MOs

Info

ID:	157465
PubChem CID:	56430323
Reduced:	SN3O3C25H25 (1)
Stoich.:	AB3C3D25E25 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	6.84
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4

DOS

IR

Vibrations