Geometry & MOs

Info

ID:

82456

PubChem CID:

49856053

Reduced:

BrFPO3N4H29C31 (1)

Stoich.:

ABCD3E4F29G31 (1)

Weight, g/mol:

589.164569

ΔHf, kcal/mol:

-68.53

Dipole, Da:

5.59

IP(EA), eV:

 -8.64(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(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)Br

DOS

IR

Vibrations