Geometry & MOs

Info

ID:

214978

PubChem CID:

85083948

Reduced:

N2Si3O5C34H58 (1)

Stoich.:

A2B3C5D34E58 (1)

Weight, g/mol:

663.294562

ΔHf, kcal/mol:

-316.26

Dipole, Da:

1.11

IP(EA), eV:

 -8.63(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,2-dimethylpropyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]pyrazolidin-3-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C1C(O1)CC2COC(C(C2O[Si](C)(C)C)O[Si](C)(C)C)CC(=CC3=NN(C=C3)C4=CC=CC=C4)C)C(C)O[Si](C)(C)C

DOS

IR

Vibrations