Geometry & MOs

Info

ID:	68716
PubChem CID:	46508970
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	449.132174
ΔH_f, kcal/mol:	32.86
Dipole, Da:	5.08
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N(C)C)C

DOS

IR

Vibrations