Geometry & MOs

Info

ID:

223810

PubChem CID:

85335604

Reduced:

FS2N4O6C26H29 (1)

Stoich.:

AB2C4D6E26F29 (1)

Weight, g/mol:

581.312581

ΔHf, kcal/mol:

-218.24

Dipole, Da:

6.97

IP(EA), eV:

 -8.76(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[7-[3-[cyclobutylmethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazolidin-3-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)OS(=O)(=O)C)F

DOS

IR

Vibrations