Geometry & MOs

Info

ID:	319388
PubChem CID:	126655844
Reduced:	ClFNO2H19C24 (1)
Stoich.:	ABCD2E19F24 (1)
Weight, g/mol:	407.108835
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	3.06
IP(EA), eV:	-9.2(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-6-(2-chloro-6-fluorophenyl)-3-phenyl-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(C(=O)O2)C3=CC=CC=C3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations