Geometry & MOs

Info

ID:

434556

PubChem CID:

135175190

Reduced:

ClFO2N5H19C20 (1)

Stoich.:

ABC2D5E19F20 (1)

Weight, g/mol:

749.312386

ΔHf, kcal/mol:

-38.65

Dipole, Da:

9.99

IP(EA), eV:

 -8.54(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[3-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropoxy]propoxy]propanoate

Drug info:

PubChemData

Smile

CNC/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

DOS

IR

Vibrations