Geometry & MOs

Info

ID:	333116
PubChem CID:	127251664
Reduced:	FSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	4.6
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCCC3=CC=C(C=C3)F)NC4=NN=CS4

DOS

IR

Vibrations