Geometry & MOs

Info

ID:

82831

PubChem CID:

49856628

Reduced:

FPO2N6C33H34 (1)

Stoich.:

ABC2D6E33F34 (1)

Weight, g/mol:

538.204625

ΔHf, kcal/mol:

-3.41

Dipole, Da:

1.78

IP(EA), eV:

 -8.59(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[3-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)prop-1-ynyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CCN(CCP(=O)(C)C)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

DOS

IR

Vibrations