Geometry & MOs

Info

ID:	82612
PubChem CID:	49856244
Reduced:	ClFPO2N4H23C24 (1)
Stoich.:	ABCD2E4F23G24 (1)
Weight, g/mol:	528.0726
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	4.64
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-6-[5-[(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)methyl]furan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=C(C(=CC=C5)Cl)F

DOS

IR

Vibrations