Geometry & MOs

Info

ID:

82297

PubChem CID:

49855864

Reduced:

ClPO3N5H29C30 (1)

Stoich.:

ABC3D5E29F30 (1)

Weight, g/mol:

587.185305

ΔHf, kcal/mol:

-24.34

Dipole, Da:

5.15

IP(EA), eV:

 -8.42(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(6-methylpyridin-2-yl)methoxy]phenyl]-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=CC(=C(C=C5)OCC6=CC=CC=N6)Cl

DOS

IR

Vibrations