Geometry & MOs

Info

ID:	56444
PubChem CID:	17425475
Reduced:	S2O3N4H10C16 (1)
Stoich.:	A2B3C4D10E16 (1)
Weight, g/mol:	288.046569
ΔH_f, kcal/mol:	63.53
Dipole, Da:	8.52
IP(EA), eV:	-9.55(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-7-fluoroquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=CS2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations