Geometry & MOs

Info

ID:

82455

PubChem CID:

49856051

Reduced:

PO3N5C32H34 (1)

Stoich.:

AB3C5D32E34 (1)

Weight, g/mol:

634.11447

ΔHf, kcal/mol:

-35.62

Dipole, Da:

8.82

IP(EA), eV:

 -8.54(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-bromo-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

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)C

DOS

IR

Vibrations