Geometry & MOs

Info

ID:	121079
PubChem CID:	50755103
Reduced:	FSO2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	2.96
IP(EA), eV:	-8.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)N

DOS

IR

Vibrations