Geometry & MOs

Info

ID:	155127
PubChem CID:	56320728
Reduced:	ClN3O4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	8.2
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations