Geometry & MOs

Info

ID:	149023
PubChem CID:	53788694
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	505.158389
ΔH_f, kcal/mol:	-229.11
Dipole, Da:	2.36
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-N-phenyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)C2)(C)C

DOS

IR

Vibrations