Geometry & MOs

Info

ID:	82610
PubChem CID:	49856242
Reduced:	ClFPN4O4H31C32 (1)
Stoich.:	ABCD4E4F31G32 (1)
Weight, g/mol:	460.202813
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	4.0
IP(EA), eV:	-8.86(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations