Geometry & MOs

Info

ID:

424434

PubChem CID:

135122675

Reduced:

ClO4N6H19C21 (1)

Stoich.:

AB4C6D19E21 (1)

Weight, g/mol:

686.294324

ΔHf, kcal/mol:

-46.15

Dipole, Da:

4.98

IP(EA), eV:

 -9.1(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[[1-[5-chloro-4-[[1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carbonyl]amino]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)O)C)Cl)C

DOS

IR

Vibrations