Geometry & MOs

Info

ID:	51229
PubChem CID:	12013869
Reduced:	O2N3H25C31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	543.99325
ΔH_f, kcal/mol:	60.92
Dipole, Da:	6.25
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[[3-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2,2-dimethylcyclobutyl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@H]([C@@](N=C2C3=CC=CC=C3)(C4=CNC5=CC=CC=C54)C(=O)O)C6=CC=CC=C6

DOS

IR

Vibrations