Geometry & MOs

Info

ID:	394179
PubChem CID:	135022479
Reduced:	BrNSO2H11C17 (2)
Stoich.:	ABCD2E11F17 (2)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	23.36
Dipole, Da:	4.39
IP(EA), eV:	-9.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5,6-dihydro-4H-benzo[f]quinazolin-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)Br)C6=CC=CC=N6

DOS

IR

Vibrations