Geometry & MOs

Info

ID:

82742

PubChem CID:

49856436

Reduced:

FPO3N4H30C33 (1)

Stoich.:

ABC3D4E30F33 (1)

Weight, g/mol:

603.180219

ΔHf, kcal/mol:

-15.79

Dipole, Da:

2.81

IP(EA), eV:

 -8.51(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(6-methyl-1-oxidopyridin-1-ium-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=C6)F)C#C

DOS

IR

Vibrations