Geometry & MOs

Info

ID:

148227

PubChem CID:

53787889

Reduced:

O4H28C31 (1)

Stoich.:

A4B28C31 (1)

Weight, g/mol:

571.180187

ΔHf, kcal/mol:

-58.84

Dipole, Da:

2.96

IP(EA), eV:

 -8.53(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-pyridin-3-yl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CCCC=COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations