Geometry & MOs

Info

ID:	149450
PubChem CID:	53789123
Reduced:	NO5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	559.234331
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	4.0
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCOC1=C(C=NC(=C1)C=CC(=O)C2CCCCC2)OC

DOS

IR

Vibrations