Geometry & MOs

Info

ID:	32117
PubChem CID:	4266150
Reduced:	ClON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	744.02061
ΔH_f, kcal/mol:	3.87
Dipole, Da:	4.93
IP(EA), eV:	-8.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,14-bis(4-bromophenyl)-4-(3-fluorophenyl)-11-(3-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations