Geometry & MOs

Info

ID:	427170
PubChem CID:	135155856
Reduced:	SO2N4H24C30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	564.11609
ΔH_f, kcal/mol:	59.76
Dipole, Da:	6.6
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(4-bromophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)phenyl]methyl]-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=C(C=CC2=N1)C3=CN(C4=C3C=CC=N4)S(=O)(=O)C5=CC=C(C=C5)C)C6=CN=CC=C6

DOS

IR

Vibrations