Geometry & MOs

Info

ID:

424450

PubChem CID:

135122714

Reduced:

SO2F3N6C29H29 (1)

Stoich.:

AB2C3D6E29F29 (1)

Weight, g/mol:

499.209866

ΔHf, kcal/mol:

-110.36

Dipole, Da:

4.67

IP(EA), eV:

 -8.78(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[5-chloro-2-[(3R,5R)-3-methyl-5-(methylamino)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1/C=C(\C)/C=N/N=C\2/N(C(=O)CS2)C3=CC=CC=C3C(C)C)N(C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations