Geometry & MOs

Info

ID:

449633

PubChem CID:

135300173

Reduced:

ClO3N5C26H34 (1)

Stoich.:

AB3C5D26E34 (1)

Weight, g/mol:

605.231744

ΔHf, kcal/mol:

-86.25

Dipole, Da:

4.61

IP(EA), eV:

 -8.89(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-acetamido-2-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1CCCN(C1)CC(CO)O)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)C(C)(C)O

DOS

IR

Vibrations