Geometry & MOs

Info

ID:	333197
PubChem CID:	127251745
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	437.222703
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	10.55
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]pyridin-2-yl]morpholin-4-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCC(C3)C4=CC(=NN4)C(=O)NC5=NC=CS5)OCCO2

DOS

IR

Vibrations