Geometry & MOs

Info

ID:

447876

PubChem CID:

135286487

Reduced:

ClF2O2N5H24C27 (1)

Stoich.:

AB2C2D5E24F27 (1)

Weight, g/mol:

570.175786

ΔHf, kcal/mol:

-78.15

Dipole, Da:

5.53

IP(EA), eV:

 -8.7(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylquinolin-4-yl]amino]-2,2-difluoroethyl]-4-fluorophenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(N=C4)N5CCC(C5)C(=O)OC)F)Cl

DOS

IR

Vibrations