Geometry & MOs

Info

ID:	148274
PubChem CID:	53787936
Reduced:	SO4N5C17H21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	480.228517
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	5.7
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@H](CSC(=O)C)C(=O)NC2=NN(N=N2)CC(=O)OC

DOS

IR

Vibrations