Geometry & MOs

Info

ID:

441680

PubChem CID:

135240203

Reduced:

SO3N6C24H26 (1)

Stoich.:

AB3C6D24E26 (1)

Weight, g/mol:

597.233365

ΔHf, kcal/mol:

-52.88

Dipole, Da:

4.52

IP(EA), eV:

 -8.47(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S,5S)-3,4,5-trimethylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3C4=C(NCN3)SC5=C4C=CC(=C5)C(=O)N6CCC6)(C)C

DOS

IR

Vibrations