Geometry & MOs

Info

ID:	65209
PubChem CID:	29204613
Reduced:	ClO3N4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	8.97
Dipole, Da:	1.95
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NNC(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations