Geometry & MOs

Info

ID:	302062
PubChem CID:	124349094
Reduced:	N2Cl3O5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	452.158351
ΔH_f, kcal/mol:	-168.41
Dipole, Da:	3.22
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations