Geometry & MOs

Info

ID:	122523
PubChem CID:	50810282
Reduced:	FSO3N4H17C20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	4.81
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-3-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)SCC3=NOC(=N3)CCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations