Geometry & MOs

Info

ID:

308895

PubChem CID:

126531802

Reduced:

OSN6H14C22 (1)

Stoich.:

ABC6D14E22 (1)

Weight, g/mol:

560.173895

ΔHf, kcal/mol:

186.43

Dipole, Da:

6.76

IP(EA), eV:

 -8.7(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C/3\C=C4C(=N3)C=CN=C4C5=CSC=C5)C6=CC(=CN=C6)O

DOS

IR

Vibrations