Geometry & MOs

Info

ID:

82298

PubChem CID:

49855865

Reduced:

ClPO3N5C31H31 (1)

Stoich.:

ABC3D5E31F31 (1)

Weight, g/mol:

550.170069

ΔHf, kcal/mol:

-31.09

Dipole, Da:

7.44

IP(EA), eV:

 -8.67(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(E)-3-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)prop-1-enyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN6CCP(=O)(CC6)C)Cl

DOS

IR

Vibrations