Geometry & MOs

Info

ID:

149487

PubChem CID:

53789160

Reduced:

NO4C23H29 (1)

Stoich.:

AB4C23D29 (1)

Weight, g/mol:

590.265296

ΔHf, kcal/mol:

-171.62

Dipole, Da:

6.45

IP(EA), eV:

 -8.41(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-5-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-1H-imidazol-2-yl]-N-(3-methoxypropyl)-5-methyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations