Geometry & MOs

Info

ID:	336545
PubChem CID:	127255552
Reduced:	Cl2F2O2N5H11C20 (1)
Stoich.:	A2B2C2D5E11F20 (1)
Weight, g/mol:	396.172345
ΔH_f, kcal/mol:	1.33
Dipole, Da:	2.04
IP(EA), eV:	-9.34(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-])Cl)F

DOS

IR

Vibrations