Geometry & MOs

Info

ID:	417772
PubChem CID:	135102683
Reduced:	FSN3O4C13H18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-173.93
Dipole, Da:	4.69
IP(EA), eV:	-9.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations