Geometry & MOs

Info

ID:	427130
PubChem CID:	135155628
Reduced:	O2N7C27H29 (1)
Stoich.:	A2B7C27D29 (1)
Weight, g/mol:	582.10667
ΔH_f, kcal/mol:	33.75
Dipole, Da:	2.95
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC1(C(=O)N(C(=N1)N)CC2=NC=CC(=C2)C(=O)N3CC4=NC=CN=C4C3)C5=CC=CC=C5

DOS

IR

Vibrations