Geometry & MOs

Info

ID:	303860
PubChem CID:	124490294
Reduced:	SO2N4H14C24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	422.09938
ΔH_f, kcal/mol:	70.12
Dipole, Da:	6.98
IP(EA), eV:	-8.3(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-bromophenyl)-5-[2-(oxan-4-yl)ethyl]imidazo[2,1-a]isoindole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=O)C2=C3C=C4C(=NC5=C(N4)C(=O)NC(=S)N5)C6=CC=CC=C63

DOS

IR

Vibrations