Geometry & MOs

Info

ID:

82741

PubChem CID:

49856435

Reduced:

ClPO3N6H28C29 (1)

Stoich.:

ABC3D6E28F29 (1)

Weight, g/mol:

580.203956

ΔHf, kcal/mol:

-8.87

Dipole, Da:

5.93

IP(EA), eV:

 -8.6(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-ethynyl-4-[(3-fluorophenyl)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=NC=CN=C6)Cl

DOS

IR

Vibrations