Geometry & MOs

Info

ID:	188859
PubChem CID:	77775562
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	518.25292
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	3.32
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[6-(1,3-dioxoisoindol-2-yl)hexoxy]phenyl]-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(CCC1=CC=CC2=C1C=C(C=C2)Cl)C3=NC=C(N3)C(=O)N)O

DOS

IR

Vibrations