Geometry & MOs

Info

ID:

440550

PubChem CID:

135230547

Reduced:

F2O5N9H35C36 (1)

Stoich.:

A2B5C9D35E36 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-76.12

Dipole, Da:

11.01

IP(EA), eV:

 -8.85(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[[(2S,3R)-5-(2-methoxyethyl)-2-methyloxolan-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyrimidin-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC(C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC(=C7)F)F)CCOC

DOS

IR

Vibrations