Geometry & MOs

Info

ID:

444613

PubChem CID:

135263024

Reduced:

SN3O5C33H41 (1)

Stoich.:

AB3C5D33E41 (1)

Weight, g/mol:

500.230267

ΔHf, kcal/mol:

-167.82

Dipole, Da:

5.15

IP(EA), eV:

 -8.6(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[5-chloro-1-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)N(S(=O)(=O)C4)CC5CCOCC5)N6CCCCC6

DOS

IR

Vibrations