Geometry & MOs

Info

ID:

299812

PubChem CID:

117695710

Reduced:

NPSO6C24H24 (1)

Stoich.:

ABCD6E24F24 (1)

Weight, g/mol:

628.200824

ΔHf, kcal/mol:

-168.25

Dipole, Da:

10.55

IP(EA), eV:

 -8.89(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[ethoxy(phenyl)phosphoryl]-4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC(=CC(=N2)COS(=O)(=O)C)C#CC3=CC=C(C=C3)OC

DOS

IR

Vibrations