Geometry & MOs

Info

ID:	66168
PubChem CID:	46500364
Reduced:	SF2O4N5H19C20 (1)
Stoich.:	AB2C4D5E19F20 (1)
Weight, g/mol:	421.04259
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	5.83
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-[(2-bromophenoxy)methyl]phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations