Geometry & MOs

Info

ID:	244751
PubChem CID:	99381405
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	5.56
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)NC2=CC=CC(=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations