Geometry & MOs

Info

ID:

441597

PubChem CID:

135236611

Reduced:

ClFS2N4O5H28C31 (1)

Stoich.:

ABC2D4E5F28G31 (1)

Weight, g/mol:

654.117368

ΔHf, kcal/mol:

-139.39

Dipole, Da:

1.6

IP(EA), eV:

 -8.76(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-(2,3-dihydroxypropoxy)quinolin-6-yl]-2-(dithiolan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1C(CSS1)CC(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OC[C@@H](CO)O

DOS

IR

Vibrations