Geometry & MOs

Info

ID:

215000

PubChem CID:

85083977

Reduced:

IO5C35H37 (1)

Stoich.:

AB5C35D37 (1)

Weight, g/mol:

664.168062

ΔHf, kcal/mol:

-100.64

Dipole, Da:

3.4

IP(EA), eV:

 -9.08(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(C(C(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)CI

DOS

IR

Vibrations